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

Formula:C36H27N5O8S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-4-amino-5-oxo-3-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-[(E)-2-phenylethenyl]naphthalene-2,7-disulfonic acid is not a drug-like molecule.
MolName(3Z)-4-amino-5-oxo-3-[[4-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-[(E)-2-phenylethenyl]naphthalene-2,7-disulfonic acid
MolecularFormulaC36H27N5O8S2
SmilesNC(/C(/C(S(O)(=O)=O)=CC1=CC(S(O)(=O)=O)=C2/C=C/c3ccccc3)=N/Nc(cc3)ccc3-c(cc3)ccc3NN=C(C=C3)C=CC3=O)=C1C2=O
InChIInChI=1S/C36H27N5O8S2/c37-34-33-25(20-31(50(44,45)46)30(36(33)43)19-6-22-4-2-1-3-5-22)21-32(51(47,48)49)35(34)41-40-27-13-9-24(10-14-27)23-7-11-26(12-8-23)38-39-28-15-17-29(42)18-16-28/h1-21,38,40H,37H2,(H,44,45,46)(H,47,48,49)
InChIKMXBWWMOXLWOZSK-UHFFFAOYSA-N
TotalMolweight721.769
Molweight721.769
MonoisotopicMass721.130105
CLogP4.4798
CLogS-6.001
H Acceptors13
H Donors5
TotalSurfaceArea509.78
Relative PSA0.33475
PolarSurfaceArea234.44
Druglikeness-10.335
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.54902
Fragments1
Non HAtoms51
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms10
AcidicOxygens2
StereoCon

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