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4-[(2Z)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid

Formula:C35H24N6O13S2 Mutagenic:none Tumorigenic:low Reproductive Effective:none 4-[(2Z)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
MolName4-[(2Z)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid
MolecularFormulaC35H24N6O13S2
SmilesOC(c(cc1)ccc1N/N=C(\C(S(O)(=O)=O)=Cc1c2ccc(NC(Nc(cc3)cc(C=C(/C4=N\Nc(cc5)ccc5C(O)=O)S(O)(=O)=O)c3C4=O)=O)c1)/C2=O)=O
InChIInChI=1S/C35H24N6O13S2/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47/h1-16,38-39H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,5
InChIKPQKOKTLRTZTQMU-UHFFFAOYSA-N
TotalMolweight800.737
Molweight800.737
MonoisotopicMass800.084279
CLogP3.5142
CLogS-7.236
H Acceptors19
H Donors8
TotalSurfaceArea538.05
Relative PSA0.45278
PolarSurfaceArea324.15
Druglikeness0.66608
Mutagenicnone
Tumorigeniclow
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.55357
Fragments1
Non HAtoms56
NonCHAtoms21
Electronegative Atoms21
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms6
Symmetricatoms30
Amides2
AcidicOxygens4
StereoCon

Request More Details | 4-[(2Z)-2-[6-[[(6Z)-6-[(4-carboxyphenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid


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