Molecule

ID:95961

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FN₂O
Molecular Mass
206.2162432
Exact Mass
206.0855412
Charge
0
InChI
InChI=1S/C11H11FN2O/c1-8-9(7-15)6-13-14(8)11-4-2-10(12)3-5-11/h2-6,15H,7H2,1H3
InChIKey
QJPGMVFNIWHOIY-UHFFFAOYSA-N
Canonic Smiles
OCc1cnn(c1C)c1ccc(cc1)F
Isomeric Smiles
n1(c2ccc(cc2)F)ncc(c1C)CO
Calculated Properties
JChem
Acid pKa
14.60163
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6338956
LogD (pH = 7.4)
1.6339767
Log P
1.6339778
Molar Refractivity
56.6017
Polarizability
21.281643
Polar Surface Area
38.05
Rotatable Bonds
2
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