Molecule

ID:70565

General Information
Structure
Loading...
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKey
QHPQWRBYOIRBIT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)O)(C)C
Isomeric Smiles
c1(ccc(cc1)C(C)(C)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.21
LogD (pH = 5.5)
3.21
Log P
3.21
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.24
Polar Surface Area
20.23
Polarizability
17.64
Molar Refractivity
46.70
LOG S
-2.63
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...