Molecule

ID:134481

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-10-5-7-3-4-8(9-7)6-11-2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey
HDXYTIYVVNJFLU-YUMQZZPRSA-N
Canonic Smiles
COC[C@@H]1CC[C@H](N1)COC
Isomeric Smiles
COC[C@@H]1CC[C@H](N1)COC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9841673
LogD (pH = 7.4)
-2.339617
Log P
0.23850212
Molar Refractivity
43.6618
Polarizability
17.64941
Polar Surface Area
30.49
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
No Data Available
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Molecule Details
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References
Bioactivity
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