Molecule
ID:123515
General Information
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c1-9-10(2)13(6-5-7-15-4)11(3)12(9)8-14/h8H,5-7H2,1-4H3
InChIKey
NFOCPBRXSIZUOJ-UHFFFAOYSA-N
Canonic Smiles
COCCCn1c(C)c(c(c1C)C=O)C
Isomeric Smiles
c1(c(n(c(c1C)C)CCCOC)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9148366
LogD (pH = 7.4)
1.9148366
Log P
1.9148366
Molar Refractivity
63.547
Polarizability
23.201777
Polar Surface Area
31.23
Rotatable Bonds
5
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
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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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