Mrv1652303202016412D          

 12 11  0  0  0  0            999 V2000
10007.251510007.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.077210007.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.536510007.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.790610007.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.821910007.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.506210007.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.107110007.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.221710007.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.392410007.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.107110008.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10010.935110007.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.650710007.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0004981

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCC\C=C/CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6-

> <INCHI_KEY>
XKZKQTCECFWKBN-SREVYHEPSA-N

> <FORMULA>
C10H18O2

> <MOLECULAR_WEIGHT>
170.2487

> <EXACT_MASS>
170.13067982

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
20.34317558689432

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4Z)-dec-4-enoic acid

> <ALOGPS_LOGP>
3.74

> <JCHEM_LOGP>
3.227249130999999

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.881543944064295

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
50.5942

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-decenoic acid

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0004981

> <GENERIC_NAME>
cis-4-Decenoic acid

> <SYNONYMS>
(Z)-4-Decenoate; (Z)-4-Decenoic acid; 4-cis-Decenoate; 4-cis-Decenoic acid; cis-4-Decenoate; cis-4-Decenoic acid

$$$$