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C32H24N6O11S3 | Cheminformatics
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(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid

Molecular Formula : C32H24N6O11S3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-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-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid

MolecularFormula : C32H24N6O11S3

Smiles : Nc(cc1)cc(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)=O)c1C=C2S(O)(=O)=O

InChI : InChI=1S/C32H24N6O11S3/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40/h1-15,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)

InChIK : LISPIUVGAOUCLH-UHFFFAOYSA-N

TotalMolweight : 764.772

Molweight : 764.772

MonoisotopicMass : 764.066519

CLogP : 1.4779

CLogS : -6.026

H Acceptors : 17

H Donors : 7

TotalSurfaceArea : 501.15

Relative PSA : 0.45416

PolarSurfaceArea : 323.21

Druglikeness : -7.3977

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 52

NonCHAtoms : 20

Electronegative Atoms : 20

Rotatable Bond : 8

Rings Closures : 6

Small Rings : 6

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 6

Symmetricatoms : 7

Amines : 2

Aromatic Amines : 2

AcidicOxygens : 3

StereoCon :

Click to Load Molecule:
1 - (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
2 - (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
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Request More Details | (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(7-amino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid


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