[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate

Formula:C22H16N2O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.

MolName[4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
MolecularFormulaC22H16N2O4ClF
SmilesO=C(COc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c1cc(F)ccc1)=O
InChIInChI=1S/C22H16ClFN2O4/c23-17-6-10-19(11-7-17)29-14-21(27)26-25-13-15-4-8-20(9-5-15)30-22(28)16-2-1-3-18(24)12-16/h1-13H,14H2,(H,26,27)
InChIKBWFCRHZEOZQVQO-UHFFFAOYSA-N
TotalMolweight426.83
Molweight426.83
MonoisotopicMass426.078263
CLogP4.9138
CLogS-6.021
H Acceptors6
H Donors1
TotalSurfaceArea320.03
Relative PSA0.21576
PolarSurfaceArea76.99
Druglikeness2.6806
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.7
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms4
StereoCon

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