Molecule

ID:60903

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₂
Molecular Mass
205.1851232
Exact Mass
205.05390672
Charge
0
InChI
InChI=1S/C11H8FNO2/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKey
MFKSVTITEWJBHH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)F)N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2c(cc(cc2)C)F)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9018543
LogD (pH = 7.4)
1.9018549
Log P
1.9018549
Molar Refractivity
53.2833
Polarizability
19.470835
Polar Surface Area
37.38
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