(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-nitrophenyl)-2-phenylimidazol-4-one

Formula:C23H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-nitrophenyl)-2-phenylimidazol-4-one is a drug-like molecule.

MolName	(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-nitrophenyl)-2-phenylimidazol-4-one
MolecularFormula	C23H15N3O5
Smiles	[O-][N+](c(cc1)ccc1N(C1=O)C(c2ccccc2)=N/C1=C\c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C23H15N3O5/c27-23-19(12-15-6-11-20-21(13-15)31-14-30-20)24-22(16-4-2-1-3-5-16)25(23)17-7-9-18(10-8-17)26(28)29/h1-13H,14H2
InChIK	VKHKELADEJMBLV-UHFFFAOYSA-N
TotalMolweight	413.388
Molweight	413.388
MonoisotopicMass	413.101172
CLogP	3.3272
CLogS	-6.437
H Acceptors	8
TotalSurfaceArea	298.94
Relative PSA	0.26266
PolarSurfaceArea	96.95
Druglikeness	-2.1057
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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