MolName : (3Z)-3-[(2,4-dichlorophenyl)methoxyimino]-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]propan-1-one |
MolecularFormula : C23H17NO3Cl4 |
Smiles : O=C(C/C=N\OCc(ccc(Cl)c1)c1Cl)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
InChI : InChI=1S/C23H17Cl4NO3/c24-18-5-1-16(21(26)11-18)13-30-20-7-3-15(4-8-20)23(29)9-10-28-31-14-17-2-6-19(25)12-22(17)27/h1-8,10-12H,9,13-14H2 |
InChIK : LJGLVBKJLGTYLN-UHFFFAOYSA-N |
TotalMolweight : 497.204 |
Molweight : 497.204 |
MonoisotopicMass : 494.996252 |
CLogP : 6.8611 |
CLogS : -8.265 |
H Acceptors : 4 |
TotalSurfaceArea : 358.25 |
Relative PSA : 0.12435 |
PolarSurfaceArea : 47.89 |
Druglikeness : 0.90171 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.70968 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 9 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |