[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate

Formula:C22H15N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate is a drug-like molecule.

MolName	[(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate
MolecularFormula	C22H15N3O6
Smiles	[O-][N+](c(cc1)ccc1C(O/N=C(/C=C/c(cccc1)c1[N+]([O-])=O)\c1ccccc1)=O)=O
InChI	InChI=1S/C22H15N3O6/c26-22(18-10-13-19(14-11-18)24(27)28)31-23-20(16-6-2-1-3-7-16)15-12-17-8-4-5-9-21(17)25(29)30/h1-15H
InChIK	LFLKQAPQOZBZIP-UHFFFAOYSA-N
TotalMolweight	417.376
Molweight	417.376
MonoisotopicMass	417.096087
CLogP	3.7858
CLogS	-6.591
H Acceptors	9
TotalSurfaceArea	317.34
Relative PSA	0.30059
PolarSurfaceArea	130.3
Druglikeness	-7.4357
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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1 - [(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate | 2 - [(Z)-[(E)-3-(2-nitrophenyl)-1-phenylprop-2-enylidene]amino] 4-nitrobenzoate

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