Molecule
ID:102921
General Information
Molecular Formula
C₈H₁₁NO₃
Molecular Mass
169.17784
Exact Mass
169.07389322
Charge
0
InChI
InChI=1S/C8H11NO3/c1-2-3-6(10)9-7(11)4-5-8(9)12/h2-5H2,1H3
InChIKey
JMRWANWXMCZNFA-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)N1C(=O)CCC1=O
Isomeric Smiles
CCCC(=O)N1C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
18.251245
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.14024125
LogD (pH = 7.4)
0.14024125
Log P
0.14024125
Molar Refractivity
41.0752
Polarizability
16.173058
Polar Surface Area
54.45
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
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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