4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]benzoic acid

Formula:C16H12N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]benzoic acid is a drug-like molecule.

MolName	4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]benzoic acid
MolecularFormula	C16H12N2O2
Smiles	OC(c1ccc(/C=C/c2nc(cccc3)c3[nH]2)cc1)=O
InChI	InChI=1S/C16H12N2O2/c19-16(20)12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,(H,17,18)(H,19,20)
InChIK	HQPIRXQACTZROS-UHFFFAOYSA-N
TotalMolweight	264.283
Molweight	264.283
MonoisotopicMass	264.089878
CLogP	2.6704
CLogS	-3.26
H Acceptors	4
H Donors	2
TotalSurfaceArea	206.55
Relative PSA	0.2474
PolarSurfaceArea	65.98
Druglikeness	0.10758
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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