4-[[(E)-2-cyano-2-thiophen-2-ylethenyl]amino]benzoic acid

Formula:C14H10N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-cyano-2-thiophen-2-ylethenyl]amino]benzoic acid is a drug-like molecule.

MolName	4-[[(E)-2-cyano-2-thiophen-2-ylethenyl]amino]benzoic acid
MolecularFormula	C14H10N2O2S
Smiles	N#C/C(/c1cccs1)=C\Nc(cc1)ccc1C(O)=O
InChI	InChI=1S/C14H10N2O2S/c15-8-11(13-2-1-7-19-13)9-16-12-5-3-10(4-6-12)14(17)18/h1-7,9,16H,(H,17,18)
InChIK	ZCAUISOUJUFPIO-UHFFFAOYSA-N
TotalMolweight	270.311
Molweight	270.311
MonoisotopicMass	270.046298
CLogP	1.855
CLogS	-3.598
H Acceptors	4
H Donors	2
TotalSurfaceArea	210.94
Relative PSA	0.33905
PolarSurfaceArea	101.36
Druglikeness	-2.0422
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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