Molecule

ID:68878

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
119.16222
Exact Mass
119.09462866
Charge
0
InChI
InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
InChIKey
QCMHUGYTOGXZIW-UHFFFAOYSA-N
Canonic Smiles
OCC(CN(C)C)O
Isomeric Smiles
C(C(CN(C)C)O)O
Calculated Properties
JChem
Acid pKa
13.998516
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.085382
LogD (pH = 7.4)
-2.3545647
Log P
-1.1302675
Molar Refractivity
32.2429
Polarizability
12.719586
Polar Surface Area
43.7
Rotatable Bonds
3
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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