Molecule

ID:31174

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₂
Molecular Mass
213.66078
Exact Mass
213.05565631
Charge
0
InChI
InChI=1S/C10H12ClNO2/c1-14-9-4-2-3-8(5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
JFXGGZWVOFOWRL-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1cccc(c1)OC
Isomeric Smiles
C(=O)(NCc1cc(OC)ccc1)CCl
Calculated Properties
JChem
Acid pKa
12.812733
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2975334
LogD (pH = 7.4)
1.297532
Log P
1.2975334
Molar Refractivity
55.1916
Polarizability
21.423607
Polar Surface Area
38.33
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