Molecule

ID:54986

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₂
Molecular Mass
214.2101264
Exact Mass
214.0594067
Charge
0
InChI
InChI=1S/C14H8F2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H
InChIKey
HFFUXLCRPYMGFM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C#Cc1ccc(cc1)F
Isomeric Smiles
C(#Cc1ccc(cc1)F)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3797193
LogD (pH = 7.4)
4.3797193
Log P
4.3797193
Molar Refractivity
54.3274
Polarizability
21.793129
Polar Surface Area
0.0
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