(NZ)-N-[(4Z)-3-chloro-4-(2-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-2-nitrobenzenesulfonamide

Formula:C18H11N4O8ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (NZ)-N-[(4Z)-3-chloro-4-(2-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-2-nitrobenzenesulfonamide is not a drug-like molecule.

MolName	(NZ)-N-[(4Z)-3-chloro-4-(2-nitrophenyl)sulfonyliminocyclohexa-2,5-dien-1-ylidene]-2-nitrobenzenesulfonamide
MolecularFormula	C18H11N4O8ClS2
Smiles	[O-][N+](c(cccc1)c1S(/N=C(/C=C/C1=N/S(c(cccc2)c2[N+]([O-])=O)(=O)=O)\C=C1Cl)(=O)=O)=O
InChI	InChI=1S/C18H11ClN4O8S2/c19-13-11-12(20-32(28,29)17-7-3-1-5-15(17)22(24)25)9-10-14(13)21-33(30,31)18-8-4-2-6-16(18)23(26)27/h1-11H
InChIK	TZHRUBPZLPPKSO-UHFFFAOYSA-N
TotalMolweight	510.89
Molweight	510.89
MonoisotopicMass	509.970683
CLogP	0.4695
CLogS	-4.793
H Acceptors	12
TotalSurfaceArea	336.59
Relative PSA	0.41897
PolarSurfaceArea	201.4
Druglikeness	-5.9412
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
BasicNitrogens	2
AcidicOxygens	2
StereoCon

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