Molecule

ID:52881

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN
Molecular Mass
119.5926
Exact Mass
119.05017701
Charge
0
InChI
InChI=1S/C5H9N.ClH/c6-5-3-1-2-4-5;/h1-2,5H,3-4,6H2;1H
InChIKey
UUABBBRHNAYHLO-UHFFFAOYSA-N
Canonic Smiles
NC1CC=CC1.Cl
Isomeric Smiles
C1=CCC(C1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.6596458
LogD (pH = 7.4)
-2.3370786
Log P
0.36732134
Molar Refractivity
27.4486
Polarizability
10.519826
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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