[(Z)-pyridin-3-ylmethylideneamino] N-cyclohexylcarbamate
Formula:C13H17N3O2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(Z)-pyridin-3-ylmethylideneamino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(Z)-pyridin-3-ylmethylideneamino] N-cyclohexylcarbamate |
| MolecularFormula | C13H17N3O2 |
| Smiles | O=C(NC1CCCCC1)O/N=C\c1cnccc1 |
| InChI | InChI=1S/C13H17N3O2/c17-13(16-12-6-2-1-3-7-12)18-15-10-11-5-4-8-14-9-11/h4-5,8-10,12H,1-3,6-7H2,(H,16,17) |
| InChIK | KCXCFNVOQWMNJO-UHFFFAOYSA-N |
| TotalMolweight | 247.297 |
| Molweight | 247.297 |
| MonoisotopicMass | 247.132077 |
| CLogP | 2.7581 |
| CLogS | -3.559 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.79 |
| Relative PSA | 0.2796 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -15.019 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-pyridin-3-ylmethylideneamino] N-cyclohexylcarbamate | 2 - [(Z)-pyridin-3-ylmethylideneamino] N-cyclohexylcarbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off