4-[2-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]hydrazinyl]benzoic acid

Formula:C17H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]hydrazinyl]benzoic acid is a drug-like molecule.

MolName	4-[2-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]hydrazinyl]benzoic acid
MolecularFormula	C17H14N2O5
Smiles	O/C(/c1ccccc1)=C\C(C(NNc(cc1)ccc1C(O)=O)=O)=O
InChI	InChI=1S/C17H14N2O5/c20-14(11-4-2-1-3-5-11)10-15(21)16(22)19-18-13-8-6-12(7-9-13)17(23)24/h1-10,18,20H,(H,19,22)(H,23,24)
InChIK	SUGOLQJXZWRMJZ-UHFFFAOYSA-N
TotalMolweight	326.307
Molweight	326.307
MonoisotopicMass	326.090273
CLogP	1.7675
CLogS	-2.576
H Acceptors	7
H Donors	4
TotalSurfaceArea	246.6
Relative PSA	0.35783
PolarSurfaceArea	115.73
Druglikeness	-0.31505
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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