Molecule

ID:70751

General Information
Structure
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c6-4-1-2-5(7)3-4;/h4-5,7H,1-3,6H2;1H
InChIKey
SGKRJNWIEGYWGE-UHFFFAOYSA-N
Canonic Smiles
NC1CCC(C1)O.Cl
Isomeric Smiles
C1(CC(CC1)N)O.Cl
Calculated Properties
JChem
Acid pKa
15.209525
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7511256
LogD (pH = 7.4)
-3.2488625
Log P
-0.73026955
Molar Refractivity
27.9579
Polarizability
11.356206
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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