Molecule

ID:36976

General Information
Structure
Molecular Formula
C₁₃H₁₁ClFN
Molecular Mass
235.6845432
Exact Mass
235.05640526
Charge
0
InChI
InChI=1S/C13H10FN.ClH/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11;/h1-10H;1H/b5-4+;
InChIKey
WZYUISZFYKATLL-FXRZFVDSSA-N
Canonic Smiles
Fc1cccc(c1)/C=C/c1ccncc1.Cl
Isomeric Smiles
c1nccc(c1)/C=C/c1cc(ccc1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.05569
LogD (pH = 7.4)
3.2350922
Log P
3.2381163
Molar Refractivity
59.5723
Polarizability
22.263706
Polar Surface Area
12.89
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