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

Formula:C32H24N6O14S4 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
MolecularFormulaC32H24N6O14S4
SmilesNc(cc(cc1C=C(/C2=N\Nc(cc3)ccc3-c(cc3)ccc3N/N=C(\C(S(O)(=O)=O)=Cc3c4c(N)cc(S(O)(=O)=O)c3)/C4=O)S(O)(=O)=O)S(O)(=O)=O)c1C2=O
InChIInChI=1S/C32H24N6O14S4/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40/h1-14,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,
InChIKCAYKRNRJWGOQFB-UHFFFAOYSA-N
TotalMolweight844.835
Molweight844.835
MonoisotopicMass844.023334
CLogP-0.7514
CLogS-4.632
H Acceptors20
H Donors8
TotalSurfaceArea536.08
Relative PSA0.50231
PolarSurfaceArea385.96
Druglikeness-6.185
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms56
NonCHAtoms24
Electronegative Atoms24
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms32
Amines2
Aromatic Amines2
AcidicOxygens4
StereoCon

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