Molecule

ID:42394

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClF₂NO₂
Molecular Mass
213.6096064
Exact Mass
213.03681269
Charge
0
InChI
InChI=1S/C7H10ClF2NO2/c8-7(9,10)6(13)11-3-1-5(12)2-4-11/h5,12H,1-4H2
InChIKey
JFEUMTDKMNZFLA-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)C(=O)C(Cl)(F)F
Isomeric Smiles
C(=O)(C(F)(F)Cl)N1CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.177578
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07413863
LogD (pH = 7.4)
0.07413863
Log P
0.07413863
Molar Refractivity
43.8286
Polarizability
16.439846
Polar Surface Area
40.54
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