Molecule

ID:58644

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H12ClNO/c1-8-6-9-4-2-3-5-10(9)13(8)11(14)7-12/h2-5,8H,6-7H2,1H3
InChIKey
FVXKYKPCJPPTCB-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1C(C)Cc2c1cccc2
Isomeric Smiles
c1cccc2c1N(C(C2)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
16.760996
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0688295
LogD (pH = 7.4)
2.0688295
Log P
2.0688295
Molar Refractivity
56.5185
Polarizability
21.82441
Polar Surface Area
20.31
Rotatable Bonds
1
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