Molecule

ID:136349

General Information
Structure
MolImage
Molecular Formula
C₃H₉NO
Molecular Mass
76.10231484
Exact Mass
76.07176875
Charge
0
InChI
InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3/i1+1
InChIKey
OPKOKAMJFNKNAS-OUBTZVSYSA-N
Canonic Smiles
[13CH3]NCCO
Isomeric Smiles
[13CH3]NCCO
Calculated Properties
JChem
Acid pKa
15.602797
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.0895915
LogD (pH = 7.4)
-3.2372544
Log P
-0.88298047
Molar Refractivity
20.9857
Polarizability
8.402709
Polar Surface Area
32.26
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
No Data Available
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Molecule Details
References
Bioactivity
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