Molecule

ID:122554

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂
Molecular Mass
153.17844
Exact Mass
153.0789786
Charge
0
InChI
InChI=1S/C8H11NO2/c10-6-5-8(7(11)9-6)3-1-2-4-8/h1-5H2,(H,9,10,11)
InChIKey
BGTYXSMQJAWTJV-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CC21CCCC2
Isomeric Smiles
N1C(=O)C2(CC1=O)CCCC2
Calculated Properties
JChem
Acid pKa
10.424034
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.53093535
LogD (pH = 7.4)
0.5305344
Log P
0.5309405
Molar Refractivity
38.7567
Polarizability
15.32737
Polar Surface Area
46.17
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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