Molecule

ID:1317

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₂O₂
Molecular Mass
292.45618
Exact Mass
292.24023026
Charge
0
InChI
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey
CBMYJHIOYJEBSB-JBDJBKRMSA-N
Canonic Smiles
O[C@@H]1CC[C@]2(C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
Isomeric Smiles
O[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(CC3)C[C@H](O)CC4)C)CC2)CC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.20
LogD (pH = 5.5)
3.20
Log P
3.20
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-0.76
Polar Surface Area
40.46
Polarizability
35.34
Molar Refractivity
84.63
LOG S
-3.97
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation