Chemical ID: 4615666

c1cc(c(cc1C(=O)O)C(=O)Nc2c(c3c(s2)CCCC3)C#N)C(=O)O
Chemical ID:
4615666
Name [?]:
2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzene-1,4-dicarboxylic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)C(=O)Nc2c(c3c(s2)CCCC3)C#N)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14N2O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.53053
Area:563.077
Solvation:-4.5464
Coulombic:-77.5552
Bond Count [?]
All:28
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.38
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.09
LogP (Chemaxon):2.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue