[[(1Z)-cyclododecen-1-yl]amino] N-phenylcarbamate
Formula:C19H28N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[[(1Z)-cyclododecen-1-yl]amino] N-phenylcarbamate is not a drug-like molecule.
| MolName | [[(1Z)-cyclododecen-1-yl]amino] N-phenylcarbamate |
| MolecularFormula | C19H28N2O2 |
| Smiles | O=C(Nc1ccccc1)ON/C1=C\CCCCCCCCCC1 |
| InChI | InChI=1S/C19H28N2O2/c22-19(20-17-13-11-8-12-14-17)23-21-18-15-9-6-4-2-1-3-5-7-10-16-18/h8,11-15,21H,1-7,9-10,16H2,(H,20,22) |
| InChIK | JLUWNKPHSGJTHA-UHFFFAOYSA-N |
| TotalMolweight | 316.443 |
| Molweight | 316.443 |
| MonoisotopicMass | 316.215078 |
| CLogP | 6.2172 |
| CLogS | -5.72 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 272.74 |
| Relative PSA | 0.16851 |
| PolarSurfaceArea | 50.36 |
| Druglikeness | -12.531 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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