Molecule
ID:119668
General Information
Molecular Formula
C₁₃H₂₀O
Molecular Mass
192.2973
Exact Mass
192.15141526
Charge
0
InChI
InChI=1S/C13H20O/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14/h5-8,10,14H,9H2,1-4H3
InChIKey
VTASMXXAEGVHRD-UHFFFAOYSA-N
Canonic Smiles
OCC(c1ccc(cc1)C(C)C)(C)C
Isomeric Smiles
C(c1ccc(cc1)C(C)C)(CO)(C)C
Calculated Properties
JChem
Acid pKa
15.046538
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4825401
LogD (pH = 7.4)
3.4825401
Log P
3.4825401
Molar Refractivity
60.6894
Polarizability
23.712387
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...