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[1-[(Z)-[(Z)-[2-(4-nitrophenyl)sulfonyloxynaphthalen-1-yl]methylidenehydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate

Formula:C34H22N4O10S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low [1-[(Z)-[(Z)-[2-(4-nitrophenyl)sulfonyloxynaphthalen-1-yl]methylidenehydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate is not a drug-like molecule.
MolName[1-[(Z)-[(Z)-[2-(4-nitrophenyl)sulfonyloxynaphthalen-1-yl]methylidenehydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
MolecularFormulaC34H22N4O10S2
Smiles[O-][N+](c(cc1)ccc1S(Oc1c(/C=N\N=C/c(c2ccccc2cc2)c2OS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)c2ccccc2cc1)(=O)=O)=O
InChIInChI=1S/C34H22N4O10S2/c39-37(40)25-11-15-27(16-12-25)49(43,44)47-33-19-9-23-5-1-3-7-29(23)31(33)21-35-36-22-32-30-8-4-2-6-24(30)10-20-34(32)48-50(45,46)28-17-13-26(14-18-28)38(41)42/h1-22H
InChIKANAJGYFMLRTWRW-UHFFFAOYSA-N
TotalMolweight710.699
Molweight710.699
MonoisotopicMass710.077736
CLogP7.089
CLogS-9.812
H Acceptors14
TotalSurfaceArea495.76
Relative PSA0.32479
PolarSurfaceArea219.86
Druglikeness-9.8437
Mutagenichigh
Tumorigenichigh
Reproductive Effectivelow
Irritantnone
Nasty Functionsaromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index0.48
Fragments1
Non HAtoms50
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond11
Rings Closures6
Small Rings6
Aromatic Rings6
Aromatic Atoms32
Sp3Atoms6
Symmetricatoms28
AcidicOxygens2
StereoCon

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