3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]aniline

Formula:C15H13N3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]aniline is a drug-like molecule.

MolName	3-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]aniline
MolecularFormula	C15H13N3
Smiles	Nc1cccc(/C=C/c2nc(cccc3)c3[nH]2)c1
InChI	InChI=1S/C15H13N3/c16-12-5-3-4-11(10-12)8-9-15-17-13-6-1-2-7-14(13)18-15/h1-10H,16H2,(H,17,18)
InChIK	OMMMTEFNSJSBFG-UHFFFAOYSA-N
TotalMolweight	235.289
Molweight	235.289
MonoisotopicMass	235.110947
CLogP	2.6784
CLogS	-3.323
H Acceptors	3
H Donors	2
TotalSurfaceArea	190.97
Relative PSA	0.21066
PolarSurfaceArea	54.7
Druglikeness	0.012656
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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