Mrv1652305231918432D          

 14 13  0  0  0  0            999 V2000
   11.9693  -13.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5567  -13.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7317  -13.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3191  -14.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4941  -14.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0815  -15.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5568  -12.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7943  -13.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2565  -15.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8441  -14.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191  -14.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6066  -13.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7816  -13.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0192  -13.1112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM021835

> <DATABASE_NAME>
chemdb

> <SMILES>
OC(=O)CCCC\C=C/CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1,3H,2,4-8H2,(H,11,12)(H,13,14)/b3-1-

> <INCHI_KEY>
CXGDCGIPEJKSCK-IWQZZHSRSA-N

> <FORMULA>
C10H16O4

> <MOLECULAR_WEIGHT>
200.2316

> <EXACT_MASS>
200.104859

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.30100913133963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
1.83

> <JCHEM_LOGP>
1.9070073659999993

> <ALOGPS_LOGS>
-2.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.254186663752224

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.652116140475578

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
52.259600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4Z)-dec-4-enedioic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
cis-4-Decenedioic acid

> <CAS>
72879-22-2

$$$$