Molecule
ID:113049
General Information
Molecular Formula
C₅H₁₄ClNO
Molecular Mass
139.62376
Exact Mass
139.07639175
Charge
0
InChI
InChI=1S/C5H13NO.ClH/c1-4(2)5(6)3-7;/h4-5,7H,3,6H2,1-2H3;1H
InChIKey
CYONGLLQMUYOPP-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C)C)N.Cl
Isomeric Smiles
C(N)(C(C)C)CO.Cl
Calculated Properties
JChem
Acid pKa
15.1198635
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0263493
LogD (pH = 7.4)
-2.4011502
Log P
-0.011490631
Molar Refractivity
29.6255
Polarizability
12.084012
Polar Surface Area
46.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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