Molecule

ID:56900

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₂
Molecular Mass
260.71552
Exact Mass
260.06040734
Charge
0
InChI
InChI=1S/C15H13ClO2/c1-11-2-4-12(5-3-11)10-18-14-8-6-13(7-9-14)15(16)17/h2-9H,10H2,1H3
InChIKey
YHSDRZQPMLLING-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COc1ccc(cc1)C(=O)Cl
Isomeric Smiles
c1cc(ccc1OCc1ccc(cc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2443814
LogD (pH = 7.4)
4.2443814
Log P
4.2443814
Molar Refractivity
73.2897
Polarizability
27.938078
Polar Surface Area
26.3
Rotatable Bonds
4
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