Molecule

ID:55211

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClN
Molecular Mass
107.5819
Exact Mass
107.05017701
Charge
0
InChI
InChI=1S/C4H9N.ClH/c1-4(5)2-3-4;/h2-3,5H2,1H3;1H
InChIKey
GHILZUOTUJGCDH-UHFFFAOYSA-N
Canonic Smiles
CC1(N)CC1.Cl
Isomeric Smiles
C1CC1(C)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.9047825
LogD (pH = 7.4)
-2.5303862
Log P
0.12068234
Molar Refractivity
21.7682
Polarizability
8.905697
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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