Molecule

ID:63302

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c1-5(7)2-3-6-4-5;/h6-7H,2-4H2,1H3;1H
InChIKey
ZDVCDFWGMDLBMU-UHFFFAOYSA-N
Canonic Smiles
CC1(O)CNCC1.Cl
Isomeric Smiles
C1C(CCN1)(O)C.Cl
Calculated Properties
JChem
Acid pKa
14.658919
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.891597
LogD (pH = 7.4)
-3.6289854
Log P
-0.6542019
Molar Refractivity
28.1905
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
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Molecule Details
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References
Bioactivity
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