Molecule

ID:85035

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁ClO₂
Molecular Mass
270.71034
Exact Mass
270.04475727
Charge
0
InChI
InChI=1S/C16H11ClO2/c17-12-7-5-10(6-8-12)15-16(19-15)9-11-3-1-2-4-13(11)14(16)18/h1-8,15H,9H2
InChIKey
UKNPEXALSJHZHE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1OC21Cc1c(C2=O)cccc1
Isomeric Smiles
O1C2(C1c1ccc(cc1)Cl)C(=O)c1ccccc1C2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9013345
LogD (pH = 7.4)
3.9013345
Log P
3.9013345
Molar Refractivity
73.0524
Polarizability
28.42562
Polar Surface Area
29.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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