(E)-1-(4-nitrophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one

Formula:C27H20N2O3 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-(4-nitrophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-nitrophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
MolecularFormula	C27H20N2O3
Smiles	[O-][N+](c(cc1)ccc1C(/C=C/c(cc1)ccc1N(c1ccccc1)c1ccccc1)=O)=O
InChI	InChI=1S/C27H20N2O3/c30-27(22-14-18-26(19-15-22)29(31)32)20-13-21-11-16-25(17-12-21)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-20H
InChIK	FKUHGPXUTLLKET-UHFFFAOYSA-N
TotalMolweight	420.467
Molweight	420.467
MonoisotopicMass	420.147393
CLogP	4.9766
CLogS	-8.476
H Acceptors	5
TotalSurfaceArea	330.76
Relative PSA	0.14213
PolarSurfaceArea	66.13
Druglikeness	-3.7122
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	12
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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