(3E)-3-[[4-[[2,6-diamino-3-[(4-carboxyphenyl)diazenyl]phenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Formula:C26H20N8O5 Mutagenic:high Tumorigenic:high Reproductive Effective:high (3E)-3-[[4-[[2,6-diamino-3-[(4-carboxyphenyl)diazenyl]phenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid is not a drug-like molecule.

MolName	(3E)-3-[[4-[[2,6-diamino-3-[(4-carboxyphenyl)diazenyl]phenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
MolecularFormula	C26H20N8O5
Smiles	Nc(c(/N=N/c(cc1)ccc1N/N=C(\C=C1)/C=C(C(O)=O)C1=O)c1N)ccc1/N=N/c(cc1)ccc1C(O)=O
InChI	InChI=1S/C26H20N8O5/c27-20-10-11-21(33-30-15-3-1-14(2-4-15)25(36)37)23(28)24(20)34-31-17-7-5-16(6-8-17)29-32-18-9-12-22(35)19(13-18)26(38)39/h1-13,29H,27-28H2,(H,36,37)(H,38,39)
InChIK	NBWGMAKIQSWCDX-UHFFFAOYSA-N
TotalMolweight	524.496
Molweight	524.496
MonoisotopicMass	524.155667
CLogP	5.0312
CLogS	-6.955
H Acceptors	13
H Donors	5
TotalSurfaceArea	393.95
Relative PSA	0.4185
PolarSurfaceArea	217.54
Druglikeness	-2.3006
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions	twice activated DB; 1,3-diamino-aryl; azo
Shape Index	0.61538
Fragments	1
Non HAtoms	39
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amines	2
Aromatic Amines	2
AcidicOxygens	2
StereoCon

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1 - (3E)-3-[[4-[[2,6-diamino-3-[(4-carboxyphenyl)diazenyl]phenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid | 2 - (3E)-3-[[4-[[2,6-diamino-3-[(4-carboxyphenyl)diazenyl]phenyl]diazenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

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