Molecule

ID:69680

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2
InChIKey
SXWRTZOXMUOJER-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNCC1.O.Cl
Isomeric Smiles
N1CCC(=O)CC1.O.Cl
Calculated Properties
JChem
Acid pKa
17.855536
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.751681
LogD (pH = 7.4)
-1.0187186
Log P
-0.20991515
Molar Refractivity
27.1688
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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