Molecule
ID:69786
General Information
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)
InChIKey
WLDMPODMCFGWAA-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C2C1CCCC2
Isomeric Smiles
C12C(CCCC1)C(=O)NC2=O
Calculated Properties
JChem
Acid pKa
10.424004
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5179073
LogD (pH = 7.4)
0.51750636
Log P
0.51791245
Molar Refractivity
38.8302
Polarizability
15.32737
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
No Data Available
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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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