4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

Formula:C34H26N6O6S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid is not a drug-like molecule.

MolName	4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
MolecularFormula	C34H26N6O6S2
Smiles	Nc(c1ccccc1c(S(O)(=O)=O)c1)c1/N=N/c1ccc(/C=C/c(cc2)ccc2/N=N/c(cc(c2ccccc22)S(O)(=O)=O)c2N)cc1
InChI	InChI=1S/C34H26N6O6S2/c35-33-27-7-3-1-5-25(27)31(47(41,42)43)19-29(33)39-37-23-15-11-21(12-16-23)9-10-22-13-17-24(18-14-22)38-40-30-20-32(48(44,45)46)26-6-2-4-8-28(26)34(30)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)
InChIK	LDUXEVKSVHFMSZ-UHFFFAOYSA-N
TotalMolweight	678.748
Molweight	678.748
MonoisotopicMass	678.135524
CLogP	4.8466
CLogS	-9.312
H Acceptors	12
H Donors	4
TotalSurfaceArea	481.18
Relative PSA	0.33239
PolarSurfaceArea	226.98
Druglikeness	-10.182
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	azo
Shape Index	0.54167
Fragments	1
Non HAtoms	48
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	32
Sp3Atoms	6
Symmetricatoms	27
Amines	2
Aromatic Amines	2
AcidicOxygens	2
StereoCon

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1 - 4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid | 2 - 4-amino-3-[[4-[(E)-2-[4-[(1-amino-4-sulfonaphthalen-2-yl)diazenyl]phenyl]ethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

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