(NE)-N-[1-(4-chlorophenyl)-2-[[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine
Formula:C16H14N2O2Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[1-(4-chlorophenyl)-2-[[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-[1-(4-chlorophenyl)-2-[[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine |
| MolecularFormula | C16H14N2O2Cl2S2 |
| Smiles | O/N=C(\CSSC/C(/c(cc1)ccc1Cl)=N/O)/c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H14Cl2N2O2S2/c17-13-5-1-11(2-6-13)15(19-21)9-23-24-10-16(20-22)12-3-7-14(18)8-4-12/h1-8,21-22H,9-10H2 |
| InChIK | KESDEQSKAJKBEN-UHFFFAOYSA-N |
| TotalMolweight | 401.337 |
| Molweight | 401.337 |
| MonoisotopicMass | 399.987372 |
| CLogP | 5.9508 |
| CLogS | -7.142 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285 |
| Relative PSA | 0.29544 |
| PolarSurfaceArea | 115.78 |
| Druglikeness | -1.1883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-[1-(4-chlorophenyl)-2-[[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine | 2 - (NE)-N-[1-(4-chlorophenyl)-2-[[(2Z)-2-(4-chlorophenyl)-2-hydroxyiminoethyl]disulfanyl]ethylidene]hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off