N-[(Z)-(3,3-dichloro-1-phenylprop-2-enylidene)amino]-2,4-dinitroaniline

Formula:C15H10N4O4Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:high N-[(Z)-(3,3-dichloro-1-phenylprop-2-enylidene)amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(Z)-(3,3-dichloro-1-phenylprop-2-enylidene)amino]-2,4-dinitroaniline
MolecularFormula	C15H10N4O4Cl2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C=C(Cl)Cl)\c1ccccc1)=O
InChI	InChI=1S/C15H10Cl2N4O4/c16-15(17)9-13(10-4-2-1-3-5-10)19-18-12-7-6-11(20(22)23)8-14(12)21(24)25/h1-9,18H
InChIK	QZKNGCNVANLAAY-UHFFFAOYSA-N
TotalMolweight	381.174
Molweight	381.174
MonoisotopicMass	380.00791
CLogP	4.6138
CLogS	-5.678
H Acceptors	8
H Donors	1
TotalSurfaceArea	270.34
Relative PSA	0.31002
PolarSurfaceArea	116.03
Druglikeness	-3.7833
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polar activated DB; aromatic nitro; 1,1-dihalo-alkene
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
AcidicOxygens	2
StereoCon

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