Molecule

ID:94032

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₂NO
Molecular Mass
155.1016264
Exact Mass
155.01827016
Charge
0
InChI
InChI=1S/C7H3F2NO/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2,11H
InChIKey
QSUYDDDUPBMYHN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)cc(c1O)F
Isomeric Smiles
N#Cc1c(c(cc(c1)F)F)O
Calculated Properties
JChem
Acid pKa
6.9093127
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.794733
LogD (pH = 7.4)
1.2109637
Log P
1.8111806
Molar Refractivity
34.1933
Polarizability
12.316223
Polar Surface Area
44.02
Rotatable Bonds
0
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