Molecule

ID:85688

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O
Molecular Mass
150.21756
Exact Mass
150.10446507
Charge
0
InChI
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKey
OIGWAXDAPKFNCQ-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)C(C)C
Isomeric Smiles
OCc1ccc(cc1)C(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.45
LogD (pH = 5.5)
2.45
Log P
2.45
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.05
Polar Surface Area
20.23
Polarizability
17.95
Molar Refractivity
47.06
LOG S
-2.41
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