Molecule

ID:65107

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClF₃N
Molecular Mass
175.5798696
Exact Mass
175.03756163
Charge
0
InChI
InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKey
NIAIUSFJVYYGNP-UHFFFAOYSA-N
Canonic Smiles
FC(C1CNCC1)(F)F.Cl
Isomeric Smiles
C1C(CNC1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.551139
LogD (pH = 7.4)
-1.8706502
Log P
0.7964027
Molar Refractivity
27.4869
Polarizability
10.227471
Polar Surface Area
12.03
Rotatable Bonds
1
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