Molecule

ID:75200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO
Molecular Mass
196.67332
Exact Mass
196.06549272
Charge
0
InChI
InChI=1S/C11H13ClO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChIKey
XMUGWCSIQUJOFA-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)C(=O)CCCC
Calculated Properties
JChem
Acid pKa
17.145597
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7246113
LogD (pH = 7.4)
3.7246113
Log P
3.7246113
Molar Refractivity
55.0945
Polarizability
21.450365
Polar Surface Area
17.07
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