Molecule

ID:123310

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
InChIKey
JCBPETKZIGVZRE-UHFFFAOYSA-N
Canonic Smiles
CCC(CO)N
Isomeric Smiles
NC(CO)CC
Calculated Properties
JChem
Acid pKa
15.12831
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3887622
LogD (pH = 7.4)
-2.720577
Log P
-0.37646344
Molar Refractivity
25.1539
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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