[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-nitrobenzoate

Formula:C15H12N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-nitrobenzoate
MolecularFormula	C15H12N4O6
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C15H12N4O6/c16-14(9-10-1-5-12(6-2-10)18(21)22)17-25-15(20)11-3-7-13(8-4-11)19(23)24/h1-8H,9H2,(H2,16,17)
InChIK	SVASYEVXAOHGJV-UHFFFAOYSA-N
TotalMolweight	344.282
Molweight	344.282
MonoisotopicMass	344.075686
CLogP	1.227
CLogS	-4.421
H Acceptors	10
H Donors	1
TotalSurfaceArea	253.36
Relative PSA	0.43677
PolarSurfaceArea	156.32
Druglikeness	-7.8567
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-nitrobenzoate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-nitrobenzoate

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