Molecule

ID:98771

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄FNO₂
Molecular Mass
211.2327632
Exact Mass
211.10085691
Charge
0
InChI
InChI=1S/C11H14FNO2/c1-2-15-11(14)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKey
YYSGZZDJIUQIMF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNc1ccc(cc1)F
Isomeric Smiles
O=C(CCNc1ccc(cc1)F)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7300129
LogD (pH = 7.4)
1.8053728
Log P
1.8064239
Molar Refractivity
56.7699
Polarizability
21.134388
Polar Surface Area
38.33
Rotatable Bonds
6
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