Molecule

ID:18375

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-7(9)5-10-6-8-3-2-4-11-8/h7-8H,2-6,9H2,1H3
InChIKey
LLSWRLZOQCLMJS-UHFFFAOYSA-N
Canonic Smiles
CC(COCC1CCCO1)N
Isomeric Smiles
O1C(COCC(N)C)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8408012
LogD (pH = 7.4)
-2.0527327
Log P
0.16272968
Molar Refractivity
43.6358
Polarizability
17.64941
Polar Surface Area
44.48
Rotatable Bonds
4
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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