Molecule

ID:118817

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₂NO₂
Molecular Mass
267.2712064
Exact Mass
267.10708517
Charge
0
InChI
InChI=1S/C14H15F2NO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3
InChIKey
UGPWQEIGJWVJDR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)C(=O)C1CCN(CC1)C(=O)C
Isomeric Smiles
c1(C(=O)C2CCN(C(=O)C)CC2)c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
15.5663395
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5298173
LogD (pH = 7.4)
1.5298173
Log P
1.5298173
Molar Refractivity
66.8911
Polarizability
25.03049
Polar Surface Area
37.38
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