| IPAD-DB ID | S01218 |
| Name | Hydroxycarbazole |
| Category | Synthetic compounds |
| 2D Structure |
|
| 3D Structure | |
| Molecular Formula | C 1 2 H 9 N O |
| Molecular Weight | 183.21 g/mol |
| IUPAC Name | 9H-carbazol-1-ol |
| InChI | InChI=1S/C12H9NO/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-7, 13-14H |
| InChIKey | QBPAUIDFWFXLKB-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=CC=C3)O |
| PubChem CID | 6454228 |
| DrugBank Accession Number | - |
| CAS Registry Number | 61601-54-5 |
| Molecular Weight(Computed by SwissADME) | 183.21 |
| Hac(Computed by SwissADME) | 14 |
| Volume(Computed by ADMETlab 2.0) | 194.407 |
| Density(Computed by ADMETlab 2.0) | 0.942 |
| nRing(Computed by ADMETlab 2.0) | 3 |
| MaxRing(Computed by ADMETlab 2.0) | 13 |
| nHet(Computed by ADMETlab 2.0) | 2 |
| fChar(Computed by ADMETlab 2.0) | 0 |
| nRig(Computed by ADMETlab 2.0) | 15 |
| Flexibility(Computed by ADMETlab 2.0) | 0 |
| Stero Centers(Computed by ADMETlab 2.0) | 0 |
| LogS(Computed by ADMETlab 2.0) | -3.623 |
| LogD(Computed by ADMETlab 2.0) | 3.286 |
| logP(Computed by ADMETlab 2.0) | 3.471 |
| TPSA(Computed by SwissADME) | 36.02 |
| Hbond Acceptor(Computed by SwissADME) | 1 |
| Hbond Donor(Computed by SwissADME) | 2 |
| Rotatable Bonds(Computed by SwissADME) | 0 |
| GI Absorption(Computed by SwissADME) | High |
| BBB(blood-brain barrier) Permeant(Computed by SwissADME) | Yes |
| P-gp Substrate(Computed by SwissADME) | Yes |
| CYP1A2 Inhibitor(Computed by SwissADME) | Yes |
| CYP2C19 Inhibitor(Computed by SwissADME) | No |
| CYP2C9 Inhibitor(Computed by SwissADME) | No |
| CYP2D6 Inhibitor(Computed by SwissADME) | No |
| CYP3A4 Inhibitor(Computed by SwissADME) | Yes |
| log Kp(Skin Permeation)(Computed by SwissADME) | -5.27 |
| Lipinski(Computed by SwissADME) | 0 |
| Ghose(Computed by SwissADME) | 0 |
| Veber(Computed by SwissADME) | 0 |
| Egan(Computed by SwissADME) | 0 |
| Muegge(Computed by SwissADME) | 1 |
| Bioavailability Score(Computed by SwissADME) | 0.55 |