Molecule

ID:56232

General Information
Structure
Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3
InChIKey
AGMZSYQMSHMXLT-UHFFFAOYSA-N
Canonic Smiles
CC(CCO)N
Isomeric Smiles
NC(CCO)C
Calculated Properties
JChem
Acid pKa
15.92544
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8595269
LogD (pH = 7.4)
-3.3488677
Log P
-0.8390261
Molar Refractivity
25.4953
Polarizability
10.242338
Polar Surface Area
46.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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