5-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one

Formula:C16H12N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one is a drug-like molecule.

MolName	5-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one
MolecularFormula	C16H12N4O3
Smiles	[O-][N+](c1ccc(/C=C/C=N/c(cc2)cc(N3)c2NC3=O)cc1)=O
InChI	InChI=1S/C16H12N4O3/c21-16-18-14-8-5-12(10-15(14)19-16)17-9-1-2-11-3-6-13(7-4-11)20(22)23/h1-10H,(H2,18,19,21)
InChIK	MOCFWVQRFKWXTG-UHFFFAOYSA-N
TotalMolweight	308.296
Molweight	308.296
MonoisotopicMass	308.090941
CLogP	1.0218
CLogS	-4.852
H Acceptors	7
H Donors	2
TotalSurfaceArea	235.12
Relative PSA	0.33128
PolarSurfaceArea	99.31
Druglikeness	-4.2476
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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