Molecule

ID:69085

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO
Molecular Mass
135.592
Exact Mass
135.04509163
Charge
0
InChI
InChI=1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
InChIKey
KDHKOJFFKXGPKZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCNC1.Cl
Isomeric Smiles
N1CC(=O)CCC1.Cl
Calculated Properties
JChem
Acid pKa
17.187994
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8403375
LogD (pH = 7.4)
-0.36484468
Log P
-0.15826668
Molar Refractivity
27.2244
Polarizability
10.811152
Polar Surface Area
29.1
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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