[3-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate

Formula:C30H24N3O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.

MolName[3-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
MolecularFormulaC30H24N3O4F
SmilesO=C(CNC(C(c1ccccc1)c1ccccc1)=O)N/N=C\c1cccc(OC(c2cccc(F)c2)=O)c1
InChIInChI=1S/C30H24FN3O4/c31-25-15-8-14-24(18-25)30(37)38-26-16-7-9-21(17-26)19-33-34-27(35)20-32-29(36)28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-19,28H,20H2,(H,32,36)(H,34,35)
InChIKKTLDSOYECFDCIY-UHFFFAOYSA-N
TotalMolweight509.536
Molweight509.536
MonoisotopicMass509.175085
CLogP5.3423
CLogS-6.386
H Acceptors7
H Donors2
TotalSurfaceArea396.08
Relative PSA0.21094
PolarSurfaceArea96.86
Druglikeness4.6979
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.55263
Fragments1
Non HAtoms38
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms3
Symmetricatoms8
Amides1
StereoCon

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