Molecule

ID:131312

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
InChIKey
MOILFCKRQFQVFS-OORONAJNSA-N
Canonic Smiles
O[C@@H]1C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C
Isomeric Smiles
C[C@@]1([C@H]2C[C@H](C2(C)C)C[C@H]1O)O
Calculated Properties
JChem
Acid pKa
13.601064
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.8171301
LogD (pH = 7.4)
0.81712985
Log P
0.8171301
Molar Refractivity
46.9159
Polarizability
18.930742
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation