Molecule

ID:60130

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O₂
Molecular Mass
224.33916
Exact Mass
224.17763001
Charge
0
InChI
InChI=1S/C14H24O2/c1-2-13-6-11-5-12(7-13)9-14(8-11,10-13)16-4-3-15/h11-12,15H,2-10H2,1H3
InChIKey
UREAHLMKOYWUSL-UHFFFAOYSA-N
Canonic Smiles
OCCOC12CC3CC(C1)CC(C2)(C3)CC
Isomeric Smiles
C1C2CC3(CC1CC(C2)(C3)CC)OCCO
Calculated Properties
JChem
Acid pKa
15.119872
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2704697
LogD (pH = 7.4)
2.2704697
Log P
2.2704697
Molar Refractivity
63.9977
Polarizability
25.63835
Polar Surface Area
29.46
Rotatable Bonds
4
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