4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

Formula:C19H18N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is a drug-like molecule.

MolName4-[2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
MolecularFormulaC19H18N3O3F
SmilesO=C(CCC(NNC(/C=C/c(cc1)ccc1F)=O)=O)Nc1ccccc1
InChIInChI=1S/C19H18FN3O3/c20-15-9-6-14(7-10-15)8-11-18(25)22-23-19(26)13-12-17(24)21-16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,24)(H,22,25)(H,23,26)
InChIKPMBFCLUNJXALDM-UHFFFAOYSA-N
TotalMolweight355.368
Molweight355.368
MonoisotopicMass355.13322
CLogP1.8987
CLogS-4.338
H Acceptors6
H Donors3
TotalSurfaceArea281.02
Relative PSA0.26155
PolarSurfaceArea87.3
Druglikeness-1.271
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.73077
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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