Mol Weight - 234.681
Smiles - OC1(C=CC(C(c2ccccc2)=O)=CC1)Cl
InChI - NMXYTAOBIVNSDM-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H11ClO2/c14-13(16)8-6-11(7-9-13)12(15)10-4-2-1-3-5-10/h1-8,16H,9H2
| Property Name | Property Value |
| Mol Name | 4-Chloro-4 Hydroxy Benzophenone |
| Molweight | 234.681 |
| Monoisotopic Mass | 234.044757 |
| Clogp | 2.6481 |
| Clogs | -3.988 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 174.66 |
| Relative Psa | 0.14966 |
| Polar Surface Area | 37.3 |
| Druglikeness | 1.4665 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.5043 |
| Molecular Complexity | 0.68273 |
| Fragments | 1 |
| Non H Atoms | 16 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 2 |
| Smiles | OC1(C=CC(C(c2ccccc2)=O)=CC1)Cl |
| InChIKey | InChI=1S/C13H11ClO2/c14-13(16)8-6-11(7-9-13)12(15)10-4-2-1-3-5-10/h1-8,16H,9H2 |
| InChI | NMXYTAOBIVNSDM-UHFFFAOYSA-N |
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1 — 4-Chloro-4 Hydroxy Benzophenone | 2 — 4-Chloro-4 Hydroxy Benzophenone