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