Molecule

ID:56923

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClO₃
Molecular Mass
290.7415
Exact Mass
290.07097202
Charge
0
InChI
InChI=1S/C16H15ClO3/c1-11-5-3-6-12(9-11)10-20-15-13(16(17)18)7-4-8-14(15)19-2/h3-9H,10H2,1-2H3
InChIKey
RQQWNYIUZOTGLY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1cccc(c1)C)C(=O)Cl
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1cc(ccc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0867105
LogD (pH = 7.4)
4.0867105
Log P
4.0867105
Molar Refractivity
79.7529
Polarizability
30.468166
Polar Surface Area
35.53
Rotatable Bonds
5
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