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

Formula:C16H12N3OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none 5-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one is a drug-like molecule.

MolName	5-[[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-1,3-dihydrobenzimidazol-2-one
MolecularFormula	C16H12N3OCl
Smiles	O=C1Nc(cc(cc2)/N=C/C=C/c(cccc3)c3Cl)c2N1
InChI	InChI=1S/C16H12ClN3O/c17-13-6-2-1-4-11(13)5-3-9-18-12-7-8-14-15(10-12)20-16(21)19-14/h1-10H,(H2,19,20,21)
InChIK	WIRDFHGOAXHYSC-UHFFFAOYSA-N
TotalMolweight	297.744
Molweight	297.744
MonoisotopicMass	297.066889
CLogP	2.5494
CLogS	-5.128
H Acceptors	4
H Donors	2
TotalSurfaceArea	226.87
Relative PSA	0.20924
PolarSurfaceArea	53.49
Druglikeness	0.93577
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Amides	2
StereoCon

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