Molecule

ID:70971

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClN
Molecular Mass
107.5819
Exact Mass
107.05017701
Charge
0
InChI
InChI=1S/C4H9N.ClH/c1-5-4-2-3-4;/h4-5H,2-3H2,1H3;1H
InChIKey
YCWKZLXTHMGYAO-UHFFFAOYSA-N
Canonic Smiles
CNC1CC1.Cl
Isomeric Smiles
C1(CC1)NC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.9536657
LogD (pH = 7.4)
-2.3767674
Log P
0.27268606
Molar Refractivity
21.9046
Polarizability
8.905697
Polar Surface Area
12.03
Rotatable Bonds
1
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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