Chemical Name - Carprofen
Mol Weight - 273.718
Smiles - CC(C(O)=O)c(cc1)cc2c1c(cc(cc1)Cl)c1[nH]2
Mol Weight - 273.718
Smiles - CC(C(O)=O)c(cc1)cc2c1c(cc(cc1)Cl)c1[nH]2
| Property Value | |
| Mol Name | Carprofen |
| Molweight | 273.718 |
| Monoisotopic Mass | 273.055656 |
| Clogp | 3.5326 |
| Clogs | -4.724 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 196.31 |
| Relative Psa | 0.20442 |
| Polar Surface Area | 53.09 |
| Druglikeness | 0.9665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.57895 |
| Molecular Flexibility | 0.25064 |
| Molecular Complexity | 0.82225 |
| Fragments | 1 |
| Non H Atoms | 19 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3 Atoms | 3 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | CC(C(O)=O)c(cc1)cc2c1c(cc(cc1)Cl)c1[nH]2 |
| InChIKey | InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19) |
| InChI | PUXBGTOOZJQSKH-UHFFFAOYSA-N |
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