Molecule

ID:118082

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FN₂O₂
Molecular Mass
220.1997632
Exact Mass
220.06480576
Charge
0
InChI
InChI=1S/C11H9FN2O2/c12-10-3-1-8(2-4-10)9-5-13-14(6-9)7-11(15)16/h1-6H,7H2,(H,15,16)
InChIKey
HNRVNRSDDPRFAQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ncc(c1)c1ccc(cc1)F
Isomeric Smiles
n1(ncc(c1)c1ccc(cc1)F)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7392619
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.09694622
LogD (pH = 7.4)
-1.6224025
Log P
1.6690165
Molar Refractivity
66.3986
Polarizability
21.9496
Polar Surface Area
55.12
Rotatable Bonds
3
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