Molecule
ID:124006
General Information
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c14-11-8-6-10(7-9-11)13(15)16-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2
InChIKey
OVZZSSYVRJEJQF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)OC1CCCCC1
Isomeric Smiles
C(=O)(OC1CCCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9462278
LogD (pH = 7.4)
2.9470568
Log P
2.9470673
Molar Refractivity
63.7979
Polarizability
24.363955
Polar Surface Area
52.32
Rotatable Bonds
3
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
No Data Available
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Related Proteins
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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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