Molecule

ID:63293

General Information
Structure
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;/h6H,3-4H2,1-2H3;1H
InChIKey
LJJSYRRWFXODEC-UHFFFAOYSA-N
Canonic Smiles
COC1(C)CNC1.Cl
Isomeric Smiles
C1NCC1(OC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0396202
LogD (pH = 7.4)
-1.4804724
Log P
-0.071035184
Molar Refractivity
28.0763
Polarizability
11.428371
Polar Surface Area
21.26
Rotatable Bonds
1
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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