Molecule

ID:25005

General Information
Structure
Molecular Formula
C₁₁H₁₀FNO₃
Molecular Mass
223.2004032
Exact Mass
223.06447141
Charge
0
InChI
InChI=1S/C11H10FNO3/c1-13-9-4-6(12)2-3-7(9)8(11(13)16)5-10(14)15/h2-4,8H,5H2,1H3,(H,14,15)
InChIKey
IRHQMKCLFAKTJU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1c2ccc(cc2N(C1=O)C)F
Isomeric Smiles
N1(C(=O)C(c2c1cc(cc2)F)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
3.792673
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9631412
LogD (pH = 7.4)
-2.5196009
Log P
0.74613136
Molar Refractivity
53.7581
Polarizability
20.308046
Polar Surface Area
57.61
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