Molecule

ID:100686

General Information
Structure
MolImage
Molecular Formula
C₈H₆FN
Molecular Mass
135.1383432
Exact Mass
135.04842742
Charge
0
InChI
InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey
XONKJZDHGCMRRF-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1[nH]cc2
Isomeric Smiles
[nH]1c2c(cccc2cc1)F
Calculated Properties
JChem
Acid pKa
14.775023
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.2147098
LogD (pH = 7.4)
2.2147098
Log P
2.2147098
Molar Refractivity
37.3609
Polarizability
15.190473
Polar Surface Area
15.79
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