Chemical Name - 1-Chloroethyl Ethyl Carbonate
Mol Weight - 152.576
Smiles - CCOC(OC(C)Cl)=O
Mol Weight - 152.576
Smiles - CCOC(OC(C)Cl)=O
| Property Value | |
| Mol Name | 1-Chloroethyl Ethyl Carbonate |
| Molweight | 152.576 |
| Monoisotopic Mass | 152.024022 |
| Clogp | 1.4397 |
| Clogs | -2.041 |
| H Acceptors | 3 |
| Total Surface Area | 117.45 |
| Relative Psa | 0.28131 |
| Polar Surface Area | 35.53 |
| Druglikeness | -10.742 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.42896 |
| Molecular Complexity | 0.57565 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 1 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 6 |
| Smiles | CCOC(OC(C)Cl)=O |
| InChIKey | InChI=1S/C5H9ClO3/c1-3-8-5(7)9-4(2)6/h4H,3H2,1-2H3 |
| InChI | YVRGKFXJZCTTRB-UHFFFAOYSA-N |
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1 - 1-Chloroethyl Ethyl Carbonate
2 - 1-Chloroethyl Ethyl Carbonate
1 - 1-Chloroethyl Ethyl Carbonate
2 - 1-Chloroethyl Ethyl Carbonate
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