Molecule

ID:113050

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁F₂N
Molecular Mass
219.2299464
Exact Mass
219.0859558
Charge
0
InChI
InChI=1S/C13H11F2N/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKey
OQVIJNAAQBTAAY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1ccc(cc1)F
Isomeric Smiles
N(c1ccc(F)cc1)Cc1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4423707
LogD (pH = 7.4)
3.455728
Log P
3.455901
Molar Refractivity
61.2972
Polarizability
22.217667
Polar Surface Area
12.03
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