Molecule

ID:44332

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO₂
Molecular Mass
277.74604
Exact Mass
277.08695644
Charge
0
InChI
InChI=1S/C15H16ClNO2/c1-2-19-15(18)9-6-7-13-11(8-9)10-4-3-5-12(16)14(10)17-13/h3-5,9,17H,2,6-8H2,1H3
InChIKey
RDVOEEVZPUZSEV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCc2c(C1)c1cccc(c1[nH]2)Cl
Isomeric Smiles
[nH]1c2c(c3c1CCC(C3)C(=O)OCC)cccc2Cl
Calculated Properties
JChem
Acid pKa
14.650219
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.617847
LogD (pH = 7.4)
3.617847
Log P
3.617847
Molar Refractivity
75.2206
Polarizability
30.332705
Polar Surface Area
42.09
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