Molecule

ID:100372

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClF₃N
Molecular Mass
251.6758296
Exact Mass
251.06886176
Charge
0
InChI
InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-2-1-4-8(9)10-6-3-7-15-10;/h1-2,4-5,10,15H,3,6-7H2;1H
InChIKey
APDMORWJFZBMEX-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1C1CCCN1)(F)F.Cl
Isomeric Smiles
N1CCCC1c1ccccc1C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.35793
LogD (pH = 7.4)
0.06069061
Log P
2.8750076
Molar Refractivity
52.4909
Polarizability
19.521784
Polar Surface Area
12.03
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