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

Formula:C22H16N2O4ClI Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormulaC22H16N2O4ClI
SmilesO=C(COc(cc1)ccc1I)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O
InChIInChI=1S/C22H16ClIN2O4/c23-20-4-2-1-3-19(20)22(28)30-18-9-5-15(6-10-18)13-25-26-21(27)14-29-17-11-7-16(24)8-12-17/h1-13H,14H2,(H,26,27)
InChIKCDHZZCHZPNZZTJ-UHFFFAOYSA-N
TotalMolweight534.732
Molweight534.732
MonoisotopicMass533.984333
CLogP5.2501
CLogS-6.723
H Acceptors6
H Donors1
TotalSurfaceArea339.96
Relative PSA0.20311
PolarSurfaceArea76.99
Druglikeness4.4711
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
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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