Molecule
ID:121878
General Information
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-14(2,3)11-7-10(9-16-18)8-12(13(11)17)15(4,5)6/h7-9,17-18H,1-6H3/b16-9+
InChIKey
MHAZQZQNQAMVMT-CXUHLZMHSA-N
Canonic Smiles
O/N=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
c1(c(C(C)(C)C)cc(cc1C(C)(C)C)/C=N/O)O
Calculated Properties
JChem
Acid pKa
9.187349
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.4798512
LogD (pH = 7.4)
4.474719
Log P
4.4817753
Molar Refractivity
75.7764
Polarizability
28.756037
Polar Surface Area
52.82
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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