(E)-1-(benzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one

Formula:C16H11N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(benzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(benzimidazol-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
MolecularFormula	C16H11N3O3
Smiles	[O-][N+](c1c(/C=C/C(n2c(cccc3)c3nc2)=O)cccc1)=O
InChI	InChI=1S/C16H11N3O3/c20-16(18-11-17-13-6-2-4-8-15(13)18)10-9-12-5-1-3-7-14(12)19(21)22/h1-11H
InChIK	SSXBNTYPZRWHPC-UHFFFAOYSA-N
TotalMolweight	293.281
Molweight	293.281
MonoisotopicMass	293.080042
CLogP	2.2726
CLogS	-3.91
H Acceptors	6
TotalSurfaceArea	223.5
Relative PSA	0.27427
PolarSurfaceArea	80.71
Druglikeness	-4.2418
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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