1-carbazol-9-yl-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol
Formula:C22H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-carbazol-9-yl-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol is a drug-like molecule.
| MolName | 1-carbazol-9-yl-3-[4-[(Z)-hydroxyiminomethyl]phenoxy]propan-2-ol |
| MolecularFormula | C22H20N2O3 |
| Smiles | OC(Cn1c(cccc2)c2c2c1cccc2)COc1ccc(/C=N\O)cc1 |
| InChI | InChI=1S/C22H20N2O3/c25-17(15-27-18-11-9-16(10-12-18)13-23-26)14-24-21-7-3-1-5-19(21)20-6-2-4-8-22(20)24/h1-13,17,25-26H,14-15H2/t17-/m0/s1 |
| InChIK | SHMUXVRDOIWDHZ-KRWDZBQOSA-N |
| TotalMolweight | 360.412 |
| Molweight | 360.412 |
| MonoisotopicMass | 360.147393 |
| CLogP | 4.4107 |
| CLogS | -4.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.9 |
| Relative PSA | 0.1957 |
| PolarSurfaceArea | 66.98 |
| Druglikeness | 3.7837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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