Molecule

ID:121250

General Information
Structure
MolImage
Molecular Formula
C₈H₉FN₂O
Molecular Mass
168.1682632
Exact Mass
168.06989114
Charge
0
InChI
InChI=1S/C8H9FN2O/c1-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3,(H,11,12)
InChIKey
QHANKIGJOCDPNG-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccc(c(c1)N)F
Isomeric Smiles
C(=O)(c1cc(c(cc1)F)N)NC
Calculated Properties
JChem
Acid pKa
14.819899
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.3613068
LogD (pH = 7.4)
0.36133775
Log P
0.36133817
Molar Refractivity
44.9499
Polarizability
15.868014
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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