(3Z)-4-bromo-3,4-dichloro-2-nitro-1-N,1-N'-diphenylbuta-1,3-diene-1,1-diamine

Formula:C16H12N3O2BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-4-bromo-3,4-dichloro-2-nitro-1-N,1-N'-diphenylbuta-1,3-diene-1,1-diamine is not a drug-like molecule.

MolName	(3Z)-4-bromo-3,4-dichloro-2-nitro-1-N,1-N'-diphenylbuta-1,3-diene-1,1-diamine
MolecularFormula	C16H12N3O2BrCl2
Smiles	[O-][N+](C(/C(/Cl)=C(\Cl)/Br)=C(Nc1ccccc1)Nc1ccccc1)=O
InChI	InChI=1S/C16H12BrCl2N3O2/c17-15(19)13(18)14(22(23)24)16(20-11-7-3-1-4-8-11)21-12-9-5-2-6-10-12/h1-10,20-21H
InChIK	IPSXGPJPKLLOEA-UHFFFAOYSA-N
TotalMolweight	429.1
Molweight	429.1
MonoisotopicMass	426.948992
CLogP	5.0856
CLogS	-7.4
H Acceptors	5
H Donors	2
TotalSurfaceArea	274.92
Relative PSA	0.19402
PolarSurfaceArea	69.88
Druglikeness	-8.5725
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	9
AcidicOxygens	1
StereoCon

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