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

Formula:C30H22N3O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-benzoyloxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[3-benzoyloxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC30H22N3O6F
SmilesO=C(CNC(c(cc1)ccc1F)=O)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O
InChIInChI=1S/C30H22FN3O6/c31-24-14-11-20(12-15-24)28(36)32-19-27(35)34-33-18-23-13-16-25(39-29(37)21-7-3-1-4-8-21)17-26(23)40-30(38)22-9-5-2-6-10-22/h1-18H,19H2,(H,32,36)(H,34,35)
InChIKNHBZHNFHEINJHS-UHFFFAOYSA-N
TotalMolweight539.518
Molweight539.518
MonoisotopicMass539.149265
CLogP5.2471
CLogS-6.742
H Acceptors9
H Donors2
TotalSurfaceArea411.33
Relative PSA0.25913
PolarSurfaceArea123.16
Druglikeness3.7131
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55
Fragments1
Non HAtoms40
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms6
Amides1
StereoCon

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