Chemical Name - Dimethyl Phthalate
Mol Weight - 194.185
Smiles - COC(c(cccc1)c1C(OC)=O)=O
Mol Weight - 194.185
Smiles - COC(c(cccc1)c1C(OC)=O)=O
| Property Value | |
| Mol Name | Dimethyl Phthalate |
| Molweight | 194.185 |
| Monoisotopic Mass | 194.05791 |
| Clogp | 1.4856 |
| Clogs | -1.898 |
| H Acceptors | 4 |
| Total Surface Area | 153.28 |
| Relative Psa | 0.30063 |
| Polar Surface Area | 52.6 |
| Druglikeness | -3.9278 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.47099 |
| Molecular Complexity | 0.66888 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 7 |
| Smiles | COC(c(cccc1)c1C(OC)=O)=O |
| InChIKey | InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 |
| InChI | NIQCNGHVCWTJSM-UHFFFAOYSA-N |
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1 - Dimethyl Phthalate
2 - Dimethyl Phthalate
1 - Dimethyl Phthalate
2 - Dimethyl Phthalate
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