Molecule

ID:12042

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClFN
Molecular Mass
125.5723632
Exact Mass
125.04075519
Charge
0
InChI
InChI=1S/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
InChIKey
LENYOXXELREKGZ-WCCKRBBISA-N
Canonic Smiles
F[C@@H]1CNCC1.Cl
Isomeric Smiles
N1C[C@H](CC1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-3.2308958
LogD (pH = 7.4)
-2.2204583
Log P
-0.043686844
Molar Refractivity
21.8602
Polarizability
8.618149
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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