Molecule

ID:65131

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c1-6(2-3-7)8-4-5-9-6/h2-5,7H2,1H3
InChIKey
GVVWCRQQBUQLMZ-UHFFFAOYSA-N
Canonic Smiles
NCCC1(C)OCCO1
Isomeric Smiles
C1OC(OC1)(C)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0667095
LogD (pH = 7.4)
-2.544913
Log P
-0.046690907
Molar Refractivity
34.248
Polarizability
13.976185
Polar Surface Area
44.48
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
No Data Available
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Molecule Details
References
Bioactivity
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