Molecule

ID:68040

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-2-15-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h3-6,11,13H,2,7-8H2,1H3
InChIKey
VQCZFBAEEZXPBC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCc2c(N1)cccc2
Isomeric Smiles
N1C(CCc2ccccc12)C(=O)OCC
Calculated Properties
JChem
Acid pKa
14.63752
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1230958
LogD (pH = 7.4)
2.1231225
Log P
2.1231227
Molar Refractivity
59.51
Polarizability
22.549767
Polar Surface Area
38.33
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
暂无数据
点击上传数据
References
Bioactivity
Navigation