Molecule

ID:86909

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
InChIKey
CPXCDEMFNPKOEF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)C
Isomeric Smiles
O=C(c1cccc(c1)C)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4901443
LogD (pH = 7.4)
2.4901443
Log P
2.4901443
Molar Refractivity
43.1245
Polarizability
16.508656
Polar Surface Area
26.3
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation