[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Formula:C23H16N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a drug-like molecule.

MolName[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormulaC23H16N3O4Cl
SmilesN#Cc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O
InChIInChI=1S/C23H16ClN3O4/c24-20-7-3-2-6-19(20)23(29)31-18-11-9-16(10-12-18)14-26-27-22(28)15-30-21-8-4-1-5-17(21)13-25/h1-12,14H,15H2,(H,27,28)
InChIKRHZODUOAOQCKDY-UHFFFAOYSA-N
TotalMolweight433.85
Molweight433.85
MonoisotopicMass433.082934
CLogP4.6486
CLogS-6.48
H Acceptors7
H Donors1
TotalSurfaceArea335.39
Relative PSA0.24631
PolarSurfaceArea100.78
Druglikeness-0.25937
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.64516
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms2
StereoCon

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