Molecule

ID:79362

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6,11H,2-4H2,1H3
InChIKey
XHMLXYGITDAGDN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c2c1CCC2)O
Isomeric Smiles
Oc1c2c(c(cc1)C)CCC2
Calculated Properties
JChem
Acid pKa
10.7117605
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1907847
LogD (pH = 7.4)
3.1905768
Log P
3.1907873
Molar Refractivity
45.9613
Polarizability
17.343874
Polar Surface Area
20.23
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