Molecule

ID:96849

General Information
Structure
Molecular Formula
C₇H₅F₂NO
Molecular Mass
157.1175064
Exact Mass
157.03392023
Charge
0
InChI
InChI=1S/C7H5F2NO/c8-7(9)6(11)5-3-1-2-4-10-5/h1-4,7H
InChIKey
DUPAXXZTNNHMQL-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)c1ccccn1)F
Isomeric Smiles
n1c(cccc1)C(=O)C(F)F
Calculated Properties
JChem
Acid pKa
17.321209
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1136385
LogD (pH = 7.4)
1.1137439
Log P
1.1137452
Molar Refractivity
34.0707
Polarizability
12.772471
Polar Surface Area
29.96
Rotatable Bonds
2
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