(3Z)-1-(4-bromophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one
Molecular Formula : C16H12NO2BrCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3Z)-1-(4-bromophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one is not a drug-like molecule.
MolName : (3Z)-1-(4-bromophenyl)-3-[(2,4-dichlorophenyl)methoxyimino]propan-1-one |
MolecularFormula : C16H12NO2BrCl2 |
Smiles : O=C(C/C=N\OCc(ccc(Cl)c1)c1Cl)c(cc1)ccc1Br |
InChI : InChI=1S/C16H12BrCl2NO2/c17-13-4-1-11(2-5-13)16(21)7-8-20-22-10-12-3-6-14(18)9-15(12)19/h1-6,8-9H,7,10H2 |
InChIK : IRKWKGIZXMXGDM-UHFFFAOYSA-N |
TotalMolweight : 401.086 |
Molweight : 401.086 |
MonoisotopicMass : 398.942844 |
CLogP : 5.0262 |
CLogS : -6.286 |
H Acceptors : 3 |
TotalSurfaceArea : 262.52 |
Relative PSA : 0.13161 |
PolarSurfaceArea : 38.66 |
Druglikeness : -0.81933 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.72727 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
StereoCon : |