5-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one

Formula:C16H13N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one is a drug-like molecule.

MolName	5-[[(E)-3-phenylprop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one
MolecularFormula	C16H13N3O
Smiles	O=C1Nc(cc(cc2)/N=C/C=C/c3ccccc3)c2N1
InChI	InChI=1S/C16H13N3O/c20-16-18-14-9-8-13(11-15(14)19-16)17-10-4-7-12-5-2-1-3-6-12/h1-11H,(H2,18,19,20)
InChIK	OWQVPADCEPIOIO-UHFFFAOYSA-N
TotalMolweight	263.299
Molweight	263.299
MonoisotopicMass	263.105862
CLogP	1.9434
CLogS	-4.392
H Acceptors	4
H Donors	2
TotalSurfaceArea	211.45
Relative PSA	0.2245
PolarSurfaceArea	53.49
Druglikeness	0.8571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	2
StereoCon

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