Molecule

ID:56269

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c8-4-3-7-2-1-5-9-6-7/h7H,1-6,8H2
InChIKey
XKNKOCGKABTGEP-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCOC1
Isomeric Smiles
C1COCC(C1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7828658
LogD (pH = 7.4)
-2.3565612
Log P
0.24089664
Molar Refractivity
37.8133
Polarizability
15.112169
Polar Surface Area
35.25
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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