Molecule
ID:45996
General Information
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKey
IMVZGRGQSYMGGB-UHFFFAOYSA-N
Canonic Smiles
CCCOCCOC1CNC1
Isomeric Smiles
N1CC(C1)OCCOCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4744904
LogD (pH = 7.4)
-0.9020855
Log P
0.480743
Molar Refractivity
43.7542
Polarizability
17.64941
Polar Surface Area
30.49
Rotatable Bonds
6
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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