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N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

Formula:C26H21N4O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-chlorophenyl)-5-nitro-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
MolNameN-(4-chlorophenyl)-5-nitro-2-[(2E)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
MolecularFormulaC26H21N4O5ClS
Smiles[O-][N+](c(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1N/N=C/c1cc(OCc2ccccc2)ccc1)=O
InChIInChI=1S/C26H21ClN4O5S/c27-21-9-11-22(12-10-21)30-37(34,35)26-16-23(31(32)33)13-14-25(26)29-28-17-20-7-4-8-24(15-20)36-18-19-5-2-1-3-6-19/h1-17,29-30H,18H2
InChIKHUEYCLVPTGRCLO-UHFFFAOYSA-N
TotalMolweight536.995
Molweight536.995
MonoisotopicMass536.092118
CLogP6.1725
CLogS-7.019
H Acceptors9
H Donors2
TotalSurfaceArea391.65
Relative PSA0.26409
PolarSurfaceArea133.99
Druglikeness-7.534
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.56757
Fragments1
Non HAtoms37
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms5
Amides1
AcidicOxygens1
StereoCon

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