Molecule

ID:21014

General Information
Structure
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c1-2-8-6-3-4-7-5-6;/h6-7H,2-5H2,1H3;1H
InChIKey
VHSSBFJFGPYMNJ-UHFFFAOYSA-N
Canonic Smiles
CCOC1CNCC1.Cl
Isomeric Smiles
C1C(CNC1)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1690147
LogD (pH = 7.4)
-2.788088
Log P
0.06515584
Molar Refractivity
33.0521
Polarizability
13.269628
Polar Surface Area
21.26
Rotatable Bonds
2
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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