Molecule
ID:84758
General Information
Molecular Formula
C₁₁H₁₀O
Molecular Mass
158.1965
Exact Mass
158.07316494
Charge
0
InChI
InChI=1S/C11H10O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-7,12H,1H3
InChIKey
NSVIJCUSYBZPTA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(O)ccc2
Isomeric Smiles
Oc1cccc2ccc(cc12)C
Calculated Properties
JChem
Acid pKa
9.6043215
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1725447
LogD (pH = 7.4)
3.1698906
Log P
3.1725786
Molar Refractivity
49.5303
Polarizability
20.310015
Polar Surface Area
20.23
Rotatable Bonds
0
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...