(4Z)-4-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid

Formula:C19H18N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid is a drug-like molecule.

MolName(4Z)-4-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
MolecularFormulaC19H18N3O4F
SmilesOC(CC/C(/c1ccccc1)=N/NC(CNC(c1cccc(F)c1)=O)=O)=O
InChIInChI=1S/C19H18FN3O4/c20-15-8-4-7-14(11-15)19(27)21-12-17(24)23-22-16(9-10-18(25)26)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,21,27)(H,23,24)(H,25,26)
InChIKRROHBJFQJILMGK-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 Index0.55556
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
Amides1
AcidicOxygens1
StereoCon

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