Molecule

ID:15411

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-3-7-5(2)4-6/h5H,3-4,6H2,1-2H3
InChIKey
YFBZSYRSVUOGPF-UHFFFAOYSA-N
Canonic Smiles
CCOC(CN)C
Isomeric Smiles
NCC(OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8868506
LogD (pH = 7.4)
-1.9468647
Log P
0.1009486
Molar Refractivity
30.1297
Polarizability
12.157154
Polar Surface Area
35.25
Rotatable Bonds
3
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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