(E)-1-(benzimidazol-1-yl)-3-phenylprop-2-en-1-one

Formula:C16H12N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(benzimidazol-1-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(benzimidazol-1-yl)-3-phenylprop-2-en-1-one
MolecularFormula	C16H12N2O
Smiles	O=C(/C=C/c1ccccc1)n1c(cccc2)c2nc1
InChI	InChI=1S/C16H12N2O/c19-16(11-10-13-6-2-1-3-7-13)18-12-17-14-8-4-5-9-15(14)18/h1-12H
InChIK	SHUWQFLKYAKUGO-UHFFFAOYSA-N
TotalMolweight	248.284
Molweight	248.284
MonoisotopicMass	248.094963
CLogP	3.1942
CLogS	-3.45
H Acceptors	3
TotalSurfaceArea	199.83
Relative PSA	0.15453
PolarSurfaceArea	34.89
Druglikeness	0.88782
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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