Molecule

ID:85427

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-3-10-6-5-7-11(4-2)14(10)15-12(16)8-9-13(15)17/h5-9H,3-4H2,1-2H3
InChIKey
LNOKVKHZEYOLIQ-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1N1C(=O)C=CC1=O)CC
Isomeric Smiles
N1(c2c(cccc2CC)CC)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.161708
LogD (pH = 7.4)
3.1617117
Log P
3.1617117
Molar Refractivity
67.3101
Polarizability
25.19652
Polar Surface Area
37.38
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