(4Z)-4-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid

Formula:C19H18N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.

MolName(4Z)-4-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
MolecularFormulaC19H18N3O4F
SmilesOC(CC/C(/c1ccccc1)=N/NC(CNC(c(cc1)ccc1F)=O)=O)=O
InChIInChI=1S/C19H18FN3O4/c20-15-8-6-14(7-9-15)19(27)21-12-17(24)23-22-16(10-11-18(25)26)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,27)(H,23,24)(H,25,26)
InChIKGEUXDZKGUKXQEO-UHFFFAOYSA-N
TotalMolweight371.367
Molweight371.367
MonoisotopicMass371.128135
CLogP1.9565
CLogS-4.177
H Acceptors7
H Donors3
TotalSurfaceArea286.14
Relative PSA0.30282
PolarSurfaceArea107.86
Druglikeness1.8689
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms4
Amides1
AcidicOxygens1
StereoCon

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