Molecule

ID:97264

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂NO
Molecular Mass
159.1333864
Exact Mass
159.04957029
Charge
0
InChI
InChI=1S/C7H7F2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKey
POVSDXPEJZMSEJ-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cc(cc1F)N
Isomeric Smiles
Nc1cc(c(c(c1)F)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2706604
LogD (pH = 7.4)
1.2720349
Log P
1.2720525
Molar Refractivity
37.6544
Polarizability
13.480202
Polar Surface Area
35.25
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