Molecule

ID:7495

General Information
Structure
Molecular Formula
C₉H₆FNO
Molecular Mass
163.1484432
Exact Mass
163.04334204
Charge
0
InChI
InChI=1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey
BYZXOYSEYWCLOK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(O)ccn2
Isomeric Smiles
c12c(nccc1O)ccc(c2)F
Calculated Properties
JChem
Acid pKa
10.545702
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9699283
LogD (pH = 7.4)
1.9697306
Log P
1.9700371
Molar Refractivity
42.1766
Polarizability
17.19083
Polar Surface Area
33.12
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