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4-[(2Z)-2-[(2Z)-2-[(4-sulfonatophenyl)hydrazinylidene]ethylidene]hydrazinyl]benzenesulfonate

Formula:C14H12N4O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(2Z)-2-[(2Z)-2-[(4-sulfonatophenyl)hydrazinylidene]ethylidene]hydrazinyl]benzenesulfonate is a drug-like molecule.
MolName4-[(2Z)-2-[(2Z)-2-[(4-sulfonatophenyl)hydrazinylidene]ethylidene]hydrazinyl]benzenesulfonate
MolecularFormulaC14H12N4O6S2
Smiles[O-]S(c(cc1)ccc1N/N=C\C=N/Nc(cc1)ccc1S([O-])(=O)=O)(=O)=O
InChIInChI=1S/C14H14N4O6S2/c19-25(20,21)13-5-1-11(2-6-13)17-15-9-10-16-18-12-3-7-14(8-4-12)26(22,23)24/h1-10,17-18H,(H,19,20,21)(H,22,23,24)/p-2
InChIKASMDMBOJMDHBBC-UHFFFAOYSA-L
TotalMolweight396.403
Molweight396.403
MonoisotopicMass396.019826
CLogP-1.7586
CLogS-0.03
H Acceptors10
H Donors2
TotalSurfaceArea277.68
Relative PSA0.47414
PolarSurfaceArea179.94
Druglikeness-10.481
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms16
AcidicOxygens2
StereoCon

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