[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chloro-3-nitrobenzoate

Formula:C15H11N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chloro-3-nitrobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 4-chloro-3-nitrobenzoate
MolecularFormula	C15H11N4O6Cl
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c(cc1)cc([N+]([O-])=O)c1Cl)=O
InChI	InChI=1S/C15H11ClN4O6/c16-12-6-3-10(8-13(12)20(24)25)15(21)26-18-14(17)7-9-1-4-11(5-2-9)19(22)23/h1-6,8H,7H2,(H2,17,18)
InChIK	NAAWAAUZEXVLSB-UHFFFAOYSA-N
TotalMolweight	378.727
Molweight	378.727
MonoisotopicMass	378.036713
CLogP	1.833
CLogS	-5.157
H Acceptors	10
H Donors	1
TotalSurfaceArea	268.78
Relative PSA	0.41171
PolarSurfaceArea	156.32
Druglikeness	-7.7515
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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