(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol
Formula:C22H18N2O3Cl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol is not a drug-like molecule.
| MolName | (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol |
| MolecularFormula | C22H18N2O3Cl2 |
| Smiles | O[C@@H](Cn1c(ccc(Cl)c2)c2c2c1ccc(Cl)c2)COc1ccc(/C=N\O)cc1 |
| InChI | InChI=1S/C22H18Cl2N2O3/c23-15-3-7-21-19(9-15)20-10-16(24)4-8-22(20)26(21)12-17(27)13-29-18-5-1-14(2-6-18)11-25-28/h1-11,17,27-28H,12-13H2/t17-/m0/s1 |
| InChIK | PDHPYWNJTHUSSJ-KRWDZBQOSA-N |
| TotalMolweight | 429.302 |
| Molweight | 429.302 |
| MonoisotopicMass | 428.069447 |
| CLogP | 5.6227 |
| CLogS | -6.302 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 309.74 |
| Relative PSA | 0.17621 |
| PolarSurfaceArea | 66.98 |
| Druglikeness | 3.8286 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol | 2 - (2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol
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