Molecule

ID:69026

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₂
Molecular Mass
153.60728
Exact Mass
153.05565631
Charge
0
InChI
InChI=1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChIKey
NBGXGDBTUJNTKJ-JEDNCBNOSA-N
Canonic Smiles
OC[C@@H]1CNCCO1.Cl
Isomeric Smiles
N1C[C@H](OCC1)CO.Cl
Calculated Properties
JChem
Acid pKa
14.636797
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.550191
LogD (pH = 7.4)
-1.815999
Log P
-1.0417138
Molar Refractivity
29.7304
Polarizability
12.073888
Polar Surface Area
41.49
Rotatable Bonds
1
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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