Molecule

ID:80893

General Information
Structure
Molecular Formula
C₁₉H₂₂O
Molecular Mass
266.37738
Exact Mass
266.16706532
Charge
0
InChI
InChI=1S/C19H22O/c1-12-13(2)15(4)19(16(5)14(12)3)18(20)11-17-9-7-6-8-10-17/h6-10H,11H2,1-5H3
InChIKey
CFSAHKOFVAHZDH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(C)c(C)c(c(c1C)C)C)Cc1ccccc1
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
17.026178
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.93234
LogD (pH = 7.4)
5.93234
Log P
5.93234
Molar Refractivity
86.3887
Polarizability
32.537357
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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