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

Formula:C25H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormulaC25H21N2O4Cl
SmilesC=CCc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O
InChIInChI=1S/C25H21ClN2O4/c1-2-7-19-8-3-6-11-23(19)31-17-24(29)28-27-16-18-12-14-20(15-13-18)32-25(30)21-9-4-5-10-22(21)26/h2-6,8-16H,1,7,17H2,(H,28,29)
InChIKGGIFOALCUMMORH-UHFFFAOYSA-N
TotalMolweight448.905
Molweight448.905
MonoisotopicMass448.118985
CLogP5.8414
CLogS-6.419
H Acceptors6
H Donors1
TotalSurfaceArea351.98
Relative PSA0.19618
PolarSurfaceArea76.99
Druglikeness1.2636
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms4
Symmetricatoms2
StereoCon

Request More Details | [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments