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 |