Molecule

ID:69220

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO
Molecular Mass
165.1643232
Exact Mass
165.0589921
Charge
0
InChI
InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChIKey
OFCMGCZEFVKTAN-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(c(c1)F)OC
Isomeric Smiles
C(#N)Cc1cc(c(cc1)OC)F
Calculated Properties
JChem
Acid pKa
13.46373
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6539736
LogD (pH = 7.4)
1.6539732
Log P
1.6539737
Molar Refractivity
43.0245
Polarizability
16.057304
Polar Surface Area
33.02
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