4-[2-[(2E)-2-benzylidene-4-hydroxybutanoyl]hydrazinyl]-4-oxobutanoic acid

Formula:C15H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(2E)-2-benzylidene-4-hydroxybutanoyl]hydrazinyl]-4-oxobutanoic acid is a drug-like molecule.

MolName	4-[2-[(2E)-2-benzylidene-4-hydroxybutanoyl]hydrazinyl]-4-oxobutanoic acid
MolecularFormula	C15H18N2O5
Smiles	OCC/C(/C(NNC(CCC(O)=O)=O)=O)=C\c1ccccc1
InChI	InChI=1S/C15H18N2O5/c18-9-8-12(10-11-4-2-1-3-5-11)15(22)17-16-13(19)6-7-14(20)21/h1-5,10,18H,6-9H2,(H,16,19)(H,17,22)(H,20,21)
InChIK	BQRBGTOMSPTKPF-UHFFFAOYSA-N
TotalMolweight	306.317
Molweight	306.317
MonoisotopicMass	306.121573
CLogP	0.2696
CLogS	-2.412
H Acceptors	7
H Donors	4
TotalSurfaceArea	241.88
Relative PSA	0.36481
PolarSurfaceArea	115.73
Druglikeness	0.26754
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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