Molecule

ID:64058

General Information
Structure
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2
InChIKey
OBMKZINZPBARIK-UHFFFAOYSA-N
Canonic Smiles
OCC1(N)CC1
Isomeric Smiles
C1CC1(N)CO
Calculated Properties
JChem
Acid pKa
14.7846155
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.9287434
LogD (pH = 7.4)
-3.128866
Log P
-0.9262276
Molar Refractivity
23.3119
Polarizability
9.517664
Polar Surface Area
46.25
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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