[4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C23H18N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.

MolName[4-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC23H18N3O4F
SmilesO=C(CNC(c1cccc(F)c1)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O
InChIInChI=1S/C23H18FN3O4/c24-19-8-4-7-18(13-19)22(29)25-15-21(28)27-26-14-16-9-11-20(12-10-16)31-23(30)17-5-2-1-3-6-17/h1-14H,15H2,(H,25,29)(H,27,28)
InChIKKTPWYOQRZPHSSJ-UHFFFAOYSA-N
TotalMolweight419.411
Molweight419.411
MonoisotopicMass419.128135
CLogP3.8166
CLogS-5.272
H Acceptors7
H Donors2
TotalSurfaceArea323.82
Relative PSA0.25801
PolarSurfaceArea96.86
Druglikeness3.7131
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.67742
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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