Chemical Name - Cyclohexylamine Carbonate
Mol Weight - 99.1762
Smiles - NC1CCCCC1.OC(O)=O
Mol Weight - 99.1762
Smiles - NC1CCCCC1.OC(O)=O
| Property Value | |
| Mol Name | Cyclohexylamine Carbonate |
| Molweight | 99.1762 |
| Monoisotopic Mass | 99.104799 |
| Clogp | 0.8021 |
| Clogs | -1.827 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 89.82 |
| Relative Psa | 0.17001 |
| Polar Surface Area | 26.02 |
| Druglikeness | -11.738 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.17487 |
| Molecular Complexity | 0.64864 |
| Fragments | 2 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 2 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | NC1CCCCC1.OC(O)=O |
| InChIKey | InChI=1S/C6H13N.CH2O3/c7-6-4-2-1-3-5-6;2-1(3)4/h6H,1-5,7H2;(H2,2,3,4) |
| InChI | GTLQZNKUEFUUIS-UHFFFAOYSA-N |
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1 - Cyclohexylamine Carbonate
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1 - Cyclohexylamine Carbonate
2 - Cyclohexylamine Carbonate
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