Molecule

ID:26917

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c1-2-8-5-3-4-6-9(8)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey
CYMPLBMTRHGDES-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1CC
Isomeric Smiles
N(c1c(CC)cccc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.555797
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.70629
LogD (pH = 7.4)
2.7062898
Log P
2.70629
Molar Refractivity
55.3164
Polarizability
20.637136
Polar Surface Area
29.1
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