(3Z)-4-chloro-2,4-dinitro-1-N,1-N'-diphenylbuta-1,3-diene-1,1-diamine

Formula:C16H13N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-4-chloro-2,4-dinitro-1-N,1-N'-diphenylbuta-1,3-diene-1,1-diamine is a drug-like molecule.

MolName	(3Z)-4-chloro-2,4-dinitro-1-N,1-N'-diphenylbuta-1,3-diene-1,1-diamine
MolecularFormula	C16H13N4O4Cl
Smiles	[O-][N+](C(/C=C(/[N+]([O-])=O)\Cl)=C(Nc1ccccc1)Nc1ccccc1)=O
InChI	InChI=1S/C16H13ClN4O4/c17-15(21(24)25)11-14(20(22)23)16(18-12-7-3-1-4-8-12)19-13-9-5-2-6-10-13/h1-11,18-19H
InChIK	VYVDOOMQLARZRX-UHFFFAOYSA-N
TotalMolweight	360.756
Molweight	360.756
MonoisotopicMass	360.062533
CLogP	2.5445
CLogS	-6.489
H Acceptors	8
H Donors	2
TotalSurfaceArea	266.33
Relative PSA	0.3145
PolarSurfaceArea	115.7
Druglikeness	-5.0089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	9
AcidicOxygens	2
StereoCon

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