Molecule

ID:136242

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₂
Molecular Mass
180.24354
Exact Mass
180.11502975
Charge
0
InChI
InChI=1S/C11H16O2/c1-9-5-4-6-10(7-9)8-11(12-2)13-3/h4-7,11H,8H2,1-3H3
InChIKey
YUQCSJRITDBZLT-UHFFFAOYSA-N
Canonic Smiles
COC(Cc1cccc(c1)C)OC
Isomeric Smiles
Cc1cccc(c1)CC(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7013063
LogD (pH = 7.4)
2.7013063
Log P
2.7013063
Molar Refractivity
53.3128
Polarizability
20.76335
Polar Surface Area
18.46
Rotatable Bonds
4
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