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

Formula:C22H15N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(3-nitrophenyl)-1-phenylprop-2-en-1-one
MolecularFormula	C22H15N3O3
Smiles	[O-][N+](c1cc(/C=C(/C(c2ccccc2)=O)\c2nc(cccc3)c3[nH]2)ccc1)=O
InChI	InChI=1S/C22H15N3O3/c26-21(16-8-2-1-3-9-16)18(14-15-7-6-10-17(13-15)25(27)28)22-23-19-11-4-5-12-20(19)24-22/h1-14H,(H,23,24)
InChIK	UGMCACDHXHGQFK-UHFFFAOYSA-N
TotalMolweight	369.379
Molweight	369.379
MonoisotopicMass	369.111342
CLogP	3.0377
CLogS	-4.752
H Acceptors	6
H Donors	1
TotalSurfaceArea	281.84
Relative PSA	0.24276
PolarSurfaceArea	91.57
Druglikeness	-3.4658
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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