N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzenesulfonamide

Formula:C31H21N6O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:low N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.

MolName	N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzenesulfonamide
MolecularFormula	C31H21N6O6ClS
Smiles	[O-][N+](c(cc1)cc(S(Nc(cccc2)c2Cl)(=O)=O)c1N/N=C/c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O)=O
InChI	InChI=1S/C31H21ClN6O6S/c32-25-11-5-6-12-26(25)36-45(42,43)29-17-23(38(40)41)14-15-27(29)34-33-18-21-19-37(22-9-2-1-3-10-22)35-30(21)24-16-20-8-4-7-13-28(20)44-31(24)39/h1-19,34,36H
InChIK	MVVHMKTTXAXFSG-UHFFFAOYSA-N
TotalMolweight	641.063
Molweight	641.063
MonoisotopicMass	640.093181
CLogP	5.1402
CLogS	-7.148
H Acceptors	12
H Donors	2
TotalSurfaceArea	454.57
Relative PSA	0.29547
PolarSurfaceArea	168.88
Druglikeness	0.68224
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.42222
Fragments	1
Non HAtoms	45
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	3
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzenesulfonamide | 2 - N-(2-chlorophenyl)-5-nitro-2-[(2E)-2-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]benzenesulfonamide

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