Molecule

ID:119073

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₂
Molecular Mass
240.29704
Exact Mass
240.11502975
Charge
0
InChI
InChI=1S/C16H16O2/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15,17H,2H2,1H3
InChIKey
YOUWVLSTAZVPHM-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)c1ccc(cc1)O)c1ccccc1
Isomeric Smiles
C(=O)(C(c1ccccc1)CC)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
7.7526455
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0468183
LogD (pH = 7.4)
3.8909445
Log P
4.049223
Molar Refractivity
72.3391
Polarizability
27.959974
Polar Surface Area
37.3
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