Molecule

ID:15428

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO
Molecular Mass
89.13624
Exact Mass
89.08406398
Charge
0
InChI
InChI=1S/C4H11NO/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
InChIKey
KOHBEDRJXKOYHL-UHFFFAOYSA-N
Canonic Smiles
CNCCOC
Isomeric Smiles
N(CCOC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.435064
LogD (pH = 7.4)
-2.482124
Log P
-0.23985398
Molar Refractivity
25.7369
Polarizability
10.314882
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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