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(6Z)-4-amino-3-[[4-[[4-[(2Z)-2-(8-amino-1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid

Formula:C39H29N9O12S3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-4-amino-3-[[4-[[4-[(2Z)-2-(8-amino-1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(6Z)-4-amino-3-[[4-[[4-[(2Z)-2-(8-amino-1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid
MolecularFormulaC39H29N9O12S3
SmilesNc(ccc(S(O)(=O)=O)c1C=C/C2=N/Nc(cc3)ccc3NC(c(cc3)ccc3/N=N/c(c(S(O)(=O)=O)cc(C=C(/C3=N\Nc4ccccc4)S(O)(=O)=O)c4C3=O)c4N)=O)c1C2=O
InChIInChI=1S/C39H29N9O12S3/c40-27-15-17-29(61(52,53)54)26-14-16-28(37(49)33(26)27)46-43-25-12-10-22(11-13-25)42-39(51)20-6-8-24(9-7-20)45-47-35-30(62(55,56)57)18-21-19-31(63(58,59)60)36(38(50)32(21)34(35)41)48-44-23-4-2-1-3-5-23/h1-19,43-44H,40-41H2,(H,42,51)
InChIKUXFCNZRSDLCYAU-UHFFFAOYSA-N
TotalMolweight911.908
Molweight911.908
MonoisotopicMass911.109781
CLogP3.0494
CLogS-7.036
H Acceptors21
H Donors8
TotalSurfaceArea614.93
Relative PSA0.4474
PolarSurfaceArea377.03
Druglikeness-7.1213
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsazo
Shape Index0.50794
Fragments1
Non HAtoms63
NonCHAtoms24
Electronegative Atoms24
Rotatable Bond11
Rings Closures7
Small Rings7
Aromatic Rings5
Aromatic Atoms30
Sp3Atoms7
Symmetricatoms9
Amides1
Amines2
Aromatic Amines2
AcidicOxygens3
StereoCon

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