Molecule

ID:11747

General Information
Structure
MolImage
Molecular Formula
C₄H₈ClF₂N
Molecular Mass
143.5628264
Exact Mass
143.03133338
Charge
0
InChI
InChI=1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H
InChIKey
YYVPZQADFREIFR-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CNCC1.Cl
Isomeric Smiles
C1C(CNC1)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6173587
LogD (pH = 7.4)
0.0862587
Log P
0.6065424
Molar Refractivity
21.8442
Polarizability
8.496011
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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