Chemoinformaics analysis of Phenylacetaldehyde
| Molecular Weight | 120.151 | nRot | 2 |
| Heavy Atom Molecular Weight | 112.087 | nRig | 7 |
| Exact Molecular Weight | 120.058 | nRing | 1 |
| Solubility: LogS | -1.009 | nHRing | 0 |
| Solubility: LogP | 1.155 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 1 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
| nHA | 1 | APOL | 19.4963 |
| nHD | 0 | BPOL | 8.89366 |
| QED | 0.539 |
| Synth | 1.706 |
| Natural Product Likeliness | 0.798 |
| NR-PPAR-gamma | 0.037 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.007 |
| HIA | 0.005 |
| CACO-2 | -4.291 |
| MDCK | 0.0000327 |
| BBB | 0.933 |
| PPB | 0.369443 |
| VDSS | 1.575 |
| FU | 0.67032 |
| CYP1A2-inh | 0.699 |
| CYP1A2-sub | 0.448 |
| CYP2c19-inh | 0.225 |
| CYP2c19-sub | 0.3 |
| CYP2c9-inh | 0.024 |
| CYP2c9-sub | 0.115 |
| CYP2d6-inh | 0.157 |
| CYP2d6-sub | 0.479 |
| CYP3a4-inh | 0.018 |
| CYP3a4-sub | 0.251 |
| CL | 9.592 |
| T12 | 0.784 |
| hERG | 0.097 |
| Ames | 0.395 |
| ROA | 0.019 |
| SkinSen | 0.957 |
| Carcinogencity | 0.319 |
| EI | 0.992 |
| Respiratory | 0.952 |
| NR-Aromatase | 0.013 |
| Antiviral | No |
| Prediction | 0.906779 |