Molecule

ID:6894

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
WYGAIOJWQDRBRJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)O)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)F)N
Calculated Properties
JChem
Acid pKa
2.4110599
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.5763062
LogD (pH = 7.4)
-2.2044356
Log P
0.33981657
Molar Refractivity
38.231
Polarizability
13.584581
Polar Surface Area
63.32
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