Molecule

ID:54942

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClFN
Molecular Mass
111.5457832
Exact Mass
111.02510513
Charge
0
InChI
InChI=1S/C3H6FN.ClH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H
InChIKey
PXFUWRWCKSLCLS-UHFFFAOYSA-N
Canonic Smiles
FC1CNC1.Cl
Isomeric Smiles
Cl.C1C(CN1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2663212
LogD (pH = 7.4)
-0.5778925
Log P
-0.103646584
Molar Refractivity
16.9948
Polarizability
6.8021655
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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