Chemical Name - Cyclohexyl Isocyanate
Mol Weight - 125.17
Smiles - O=C=NC1CCCCC1
Mol Weight - 125.17
Smiles - O=C=NC1CCCCC1
| Property Value | |
| Mol Name | Cyclohexyl Isocyanate |
| Molweight | 125.17 |
| Monoisotopic Mass | 125.084064 |
| Clogp | 1.3153 |
| Clogs | -2.26 |
| H Acceptors | 2 |
| Total Surface Area | 111.62 |
| Relative Psa | 0.21994 |
| Polar Surface Area | 29.43 |
| Druglikeness | -12.501 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | low |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.16054 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 6 |
| Symmetric Atoms | 2 |
| Basic Nitrogens | 1 |
| Smiles | O=C=NC1CCCCC1 |
| InChIKey | InChI=1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2 |
| InChI | KQWGXHWJMSMDJJ-UHFFFAOYSA-N |
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1 - Cyclohexyl Isocyanate
2 - Cyclohexyl Isocyanate
1 - Cyclohexyl Isocyanate
2 - Cyclohexyl Isocyanate
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