N-[(Z)-[1-(4-bromophenyl)-2-(4-chlorophenyl)sulfonylethylidene]amino]-2,4-dinitroaniline

Formula:C20H14N4O6BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-(4-bromophenyl)-2-(4-chlorophenyl)sulfonylethylidene]amino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-[1-(4-bromophenyl)-2-(4-chlorophenyl)sulfonylethylidene]amino]-2,4-dinitroaniline
MolecularFormula	C20H14N4O6BrClS
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\CS(c(cc1)ccc1Cl)(=O)=O)/c(cc1)ccc1Br)=O
InChI	InChI=1S/C20H14BrClN4O6S/c21-14-3-1-13(2-4-14)19(12-33(31,32)17-8-5-15(22)6-9-17)24-23-18-10-7-16(25(27)28)11-20(18)26(29)30/h1-11,23H,12H2
InChIK	SYFAXCYJHMWKEV-UHFFFAOYSA-N
TotalMolweight	553.776
Molweight	553.776
MonoisotopicMass	551.950594
CLogP	4.4482
CLogS	-7.28
H Acceptors	10
H Donors	1
TotalSurfaceArea	350.94
Relative PSA	0.32025
PolarSurfaceArea	158.55
Druglikeness	-12.674
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	5
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-[1-(4-bromophenyl)-2-(4-chlorophenyl)sulfonylethylidene]amino]-2,4-dinitroaniline | 2 - N-[(Z)-[1-(4-bromophenyl)-2-(4-chlorophenyl)sulfonylethylidene]amino]-2,4-dinitroaniline

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