Molecule

ID:16832

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10-7-12(9-16)11(2)15(10)13-5-4-6-14(8-13)17-3/h4-9H,1-3H3
InChIKey
XTPVHYRCFNPCRL-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)n1c(C)cc(c1C)C=O
Isomeric Smiles
c1(n2c(c(cc2C)C=O)C)cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0136
LogD (pH = 7.4)
2.0136
Log P
2.0136
Molar Refractivity
79.157
Polarizability
26.259817
Polar Surface Area
31.23
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