Molecule
ID:122553
General Information
Molecular Formula
C₉H₁₃NO₂
Molecular Mass
167.20502
Exact Mass
167.09462866
Charge
0
InChI
InChI=1S/C9H13NO2/c11-7-6-9(8(12)10-7)4-2-1-3-5-9/h1-6H2,(H,10,11,12)
InChIKey
BBZBYWMNNPPFKA-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C2(C1)CCCCC2
Isomeric Smiles
N1C(=O)C2(CC1=O)CCCCC2
Calculated Properties
JChem
Acid pKa
10.424034
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.975504
LogD (pH = 7.4)
0.9751031
Log P
0.9755091
Molar Refractivity
43.3577
Polarizability
17.157507
Polar Surface Area
46.17
Rotatable Bonds
0
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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