Molecule
ID:67437
General Information
Molecular Formula
C₁₀H₁₁NO
Molecular Mass
161.20044
Exact Mass
161.08406398
Charge
0
InChI
InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)
InChIKey
HRVRAYIYXRVAPR-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCc2c(N1)cccc2
Isomeric Smiles
N1C(=O)CCCc2c1cccc2
Calculated Properties
JChem
Acid pKa
13.901853
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9611875
LogD (pH = 7.4)
1.9611874
Log P
1.9611875
Molar Refractivity
48.7869
Polarizability
18.15904
Polar Surface Area
29.1
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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