Molecule

ID:81538

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2
InChIKey
JAAJQSRLGAYGKZ-UHFFFAOYSA-N
Canonic Smiles
OC1CCCc2c1cccc2
Isomeric Smiles
OC1c2ccccc2CCC1
Calculated Properties
JChem
Acid pKa
14.48746
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.194689
LogD (pH = 7.4)
2.194689
Log P
2.194689
Molar Refractivity
45.0557
Polarizability
17.51281
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
References
Bioactivity
Navigation