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

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

MolName	[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2,4-dinitrobenzoate
MolecularFormula	C15H11N4O6Cl
Smiles	N/C(/Cc(cc1)ccc1Cl)=N/OC(c(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C15H11ClN4O6/c16-10-3-1-9(2-4-10)7-14(17)18-26-15(21)12-6-5-11(19(22)23)8-13(12)20(24)25/h1-6,8H,7H2,(H2,17,18)
InChIK	PUOGIGKZXLDHFK-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	0.61538
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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