2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole

Formula:C14H11N3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole is a drug-like molecule.

MolName	2-[(E)-2-pyridin-3-ylethenyl]-1H-benzimidazole
MolecularFormula	C14H11N3
Smiles	C(c1nc(cccc2)c2[nH]1)=C/c1cccnc1
InChI	InChI=1S/C14H11N3/c1-2-6-13-12(5-1)16-14(17-13)8-7-11-4-3-9-15-10-11/h1-10H,(H,16,17)
InChIK	JFYMTTLMUVYQRB-UHFFFAOYSA-N
TotalMolweight	221.262
Molweight	221.262
MonoisotopicMass	221.095297
CLogP	2.3548
CLogS	-2.452
H Acceptors	3
H Donors	1
TotalSurfaceArea	181.21
Relative PSA	0.19828
PolarSurfaceArea	41.57
Druglikeness	0.034012
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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