Molecule
ID:124404
General Information
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-7(2)12-9(4)8(3)11(6-13)10(12)5/h6-7H,1-5H3
InChIKey
HHEUTRSJEKMLCI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)c(n(c1C)C(C)C)C
Isomeric Smiles
n1(c(c(c(c1C)C)C=O)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6752353
LogD (pH = 7.4)
2.6752353
Log P
2.6752353
Molar Refractivity
56.8055
Polarizability
20.668186
Polar Surface Area
22.0
Rotatable Bonds
2
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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