Molecule
ID:45994
General Information
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h2,8-9H,1,3-7H2
InChIKey
ZQTKSPGAPJYQSL-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCOC1CNC1
Isomeric Smiles
N1CC(C1)OCCOCC=C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.622571
LogD (pH = 7.4)
-1.050166
Log P
0.33266246
Molar Refractivity
43.6443
Polarizability
17.406002
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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