1-[(Z)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]cyclohexan-1-ol
Formula:C15H21NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]cyclohexan-1-ol is a drug-like molecule.
| MolName | 1-[(Z)-N-hydroxy-C-(2-phenylethyl)carbonimidoyl]cyclohexan-1-ol |
| MolecularFormula | C15H21NO2 |
| Smiles | OC1(CCCCC1)/C(/CCc1ccccc1)=N\O |
| InChI | InChI=1S/C15H21NO2/c17-15(11-5-2-6-12-15)14(16-18)10-9-13-7-3-1-4-8-13/h1,3-4,7-8,17-18H,2,5-6,9-12H2 |
| InChIK | TVHJIXPWADGYMQ-UHFFFAOYSA-N |
| TotalMolweight | 247.337 |
| Molweight | 247.337 |
| MonoisotopicMass | 247.157229 |
| CLogP | 3.417 |
| CLogS | -3.562 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 202.16 |
| Relative PSA | 0.18654 |
| PolarSurfaceArea | 52.82 |
| Druglikeness | -3.4247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| StereoCon |
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