Molecule

ID:97893

General Information
Structure
MolImage
Molecular Formula
C₇H₈FNO
Molecular Mass
141.1429232
Exact Mass
141.0589921
Charge
0
InChI
InChI=1S/C7H8FNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKey
RUTKJXMYXZFXPQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)N)F
Isomeric Smiles
Nc1c(ccc(c1)OC)F
Calculated Properties
JChem
Acid pKa
18.295292
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1292231
LogD (pH = 7.4)
1.1293489
Log P
1.1293505
Molar Refractivity
37.438
Polarizability
13.679543
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