Molecule

ID:70050

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
InChIKey
JRHHJNMASOIRDS-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C=O
Isomeric Smiles
C(=O)c1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8848848
LogD (pH = 7.4)
1.8848848
Log P
1.8848848
Molar Refractivity
43.8538
Polarizability
16.577509
Polar Surface Area
26.3
Rotatable Bonds
3
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