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(3Z)-7-amino-4-oxo-3-[[4-[(2Z)-2-[1-oxo-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Formula:C32H23N7O9S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-7-amino-4-oxo-3-[[4-[(2Z)-2-[1-oxo-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid is not a drug-like molecule.
MolName(3Z)-7-amino-4-oxo-3-[[4-[(2Z)-2-[1-oxo-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
MolecularFormulaC32H23N7O9S2
SmilesNc(cc1)cc(C=C(/C2=N\Nc(cc3)ccc3N/N=C(\C(S(O)(=O)=O)=Cc3c4ccc(NN=C(C=C5)C=CC5=O)c3)/C4=O)S(O)(=O)=O)c1C2=O
InChIInChI=1S/C32H23N7O9S2/c33-19-1-11-25-17(13-19)15-27(49(43,44)45)29(31(25)41)38-35-20-2-4-21(5-3-20)36-39-30-28(50(46,47)48)16-18-14-23(8-12-26(18)32(30)42)37-34-22-6-9-24(40)10-7-22/h1-16,35-37H,33H2,(H,43,44,45)(H,46,47,48)
InChIKDGABIMRWVPBKKT-UHFFFAOYSA-N
TotalMolweight713.707
Molweight713.707
MonoisotopicMass713.099868
CLogP4.3981
CLogS-5.849
H Acceptors16
H Donors6
TotalSurfaceArea489.62
Relative PSA0.42208
PolarSurfaceArea275.9
Druglikeness-5.7896
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.56
Fragments1
Non HAtoms50
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond8
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms6
Amines1
Aromatic Amines1
AcidicOxygens2
StereoCon

Request More Details | (3Z)-7-amino-4-oxo-3-[[4-[(2Z)-2-[1-oxo-6-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-sulfonaphthalen-2-ylidene]hydrazinyl]phenyl]hydrazinylidene]naphthalene-2-sulfonic acid


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