[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dinitrobenzoate

Formula:C15H11N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dinitrobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 3,5-dinitrobenzoate
MolecularFormula	C15H11N4O6Cl
Smiles	N/C(/Cc(cc1)ccc1Cl)=N/OC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C15H11ClN4O6/c16-11-3-1-9(2-4-11)5-14(17)18-26-15(21)10-6-12(19(22)23)8-13(7-10)20(24)25/h1-4,6-8H,5H2,(H2,17,18)
InChIK	PTLYCCHHSMEBFB-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	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
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	7
AcidicOxygens	2
StereoCon

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