4-[(2E)-2-[[(4-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]benzoic acid

Formula:C21H16N4O4 Mutagenic:low Tumorigenic:high Reproductive Effective:high 4-[(2E)-2-[[(4-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName	4-[(2E)-2-[[(4-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]benzoic acid
MolecularFormula	C21H16N4O4
Smiles	OC(c(cc1)ccc1N/N=C(\c1ccccc1)/N=N/c(cc1)ccc1C(O)=O)=O
InChI	InChI=1S/C21H16N4O4/c26-20(27)15-6-10-17(11-7-15)22-24-19(14-4-2-1-3-5-14)25-23-18-12-8-16(9-13-18)21(28)29/h1-13,22H,(H,26,27)(H,28,29)
InChIK	SDGBZJGBNHNZEV-UHFFFAOYSA-N
TotalMolweight	388.382
Molweight	388.382
MonoisotopicMass	388.117156
CLogP	5.5253
CLogS	-4.984
H Acceptors	8
H Donors	3
TotalSurfaceArea	298.43
Relative PSA	0.32929
PolarSurfaceArea	123.71
Druglikeness	-3.4218
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	azo
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	6
AcidicOxygens	2
StereoCon

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