4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

Formula:C13H10N4O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.

MolName4-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
MolecularFormulaC13H10N4O4Cl2S
SmilesNS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(ccc(Cl)c1)c1Cl)(=O)=O
InChIInChI=1S/C13H10Cl2N4O4S/c14-9-2-1-8(11(15)5-9)7-17-18-12-4-3-10(24(16,22)23)6-13(12)19(20)21/h1-7,18H,(H2,16,22,23)
InChIKPYNLAGKEKJWQPJ-UHFFFAOYSA-N
TotalMolweight389.218
Molweight389.218
MonoisotopicMass387.97998
CLogP3.8953
CLogS-4.98
H Acceptors8
H Donors2
TotalSurfaceArea260.85
Relative PSA0.37278
PolarSurfaceArea138.75
Druglikeness-3.2987
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.58333
Fragments1
Non HAtoms24
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms1
Amides1
AcidicOxygens1
StereoCon

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