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(3Z)-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)hydrazinylidene]-5-[(2Z)-2-(8-hydroxy-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-4-oxonaphthalene-2,7-disulfonic acid

Formula:C30H20N4O22S6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)hydrazinylidene]-5-[(2Z)-2-(8-hydroxy-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-4-oxonaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(3Z)-3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)hydrazinylidene]-5-[(2Z)-2-(8-hydroxy-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]-4-oxonaphthalene-2,7-disulfonic acid
MolecularFormulaC30H20N4O22S6
SmilesOc1c2c(N/N=C(\C(S(O)(=O)=O)=Cc3cc(S(O)(=O)=O)cc(N/N=C(\C(S(O)(=O)=O)=Cc4c5c(O)cc(S(O)(=O)=O)c4)/C5=O)c33)/C3=O)cc(S(O)(=O)=O)cc2cc(S(O)(=O)=O)c1
InChIInChI=1S/C30H20N4O22S6/c35-20-9-16(59(45,46)47)2-11-1-14(57(39,40)41)7-18(24(11)20)31-33-27-22(61(51,52)53)5-12-3-15(58(42,43)44)8-19(25(12)29(27)37)32-34-28-23(62(54,55)56)6-13-4-17(60(48,49)50)10-21(36)26(13)30(28)38/h1-10,31-32,35-36H,(H,39,40,41)(H,42
InChIKXZKRNEVBEYJSLF-UHFFFAOYSA-N
TotalMolweight980.891
Molweight980.891
MonoisotopicMass979.889346
CLogP-5.0116
CLogS-0.62
H Acceptors26
H Donors10
TotalSurfaceArea576.44
Relative PSA0.60423
PolarSurfaceArea499.88
Druglikeness1.9118
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.37097
Fragments1
Non HAtoms62
NonCHAtoms32
Electronegative Atoms32
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms14
Symmetricatoms6
AcidicOxygens6
StereoCon

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