Molecule

ID:65146

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
YTNDJUBXSVSRQK-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1cn[nH]2
Isomeric Smiles
c1ccc2[nH]ncc2c1F
Calculated Properties
JChem
Acid pKa
12.125821
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4389936
LogD (pH = 7.4)
1.4390014
Log P
1.4390097
Molar Refractivity
36.2895
Polarizability
14.288614
Polar Surface Area
28.68
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