Molecule

ID:68127

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m1./s1
InChIKey
VLECDMDGMKPUSK-NUBCRITNSA-N
Canonic Smiles
O[C@@H]1CCCNC1.Cl
Isomeric Smiles
N1C[C@@H](CCC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.895534
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.6185102
LogD (pH = 7.4)
-2.7142177
Log P
-0.41741595
Molar Refractivity
28.1969
Polarizability
11.356206
Polar Surface Area
32.26
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
No Data Available
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Molecule Details
References
Bioactivity
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