[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate
Molecular Formula : C16H10O3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl] 4-chlorobenzoate |
MolecularFormula : C16H10O3Cl2 |
Smiles : O=C(/C=C/OC(c(cc1)ccc1Cl)=O)c(cc1)ccc1Cl |
InChI : InChI=1S/C16H10Cl2O3/c17-13-5-1-11(2-6-13)15(19)9-10-21-16(20)12-3-7-14(18)8-4-12/h1-10H |
InChIK : SUVAXDPTXGBXRL-UHFFFAOYSA-N |
TotalMolweight : 321.158 |
Molweight : 321.158 |
MonoisotopicMass : 320.000699 |
CLogP : 3.9525 |
CLogS : -5.339 |
H Acceptors : 3 |
TotalSurfaceArea : 235.86 |
Relative PSA : 0.15297 |
PolarSurfaceArea : 43.37 |
Druglikeness : -0.40359 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
StereoCon : |