Molecule
ID:59009
General Information
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-6-7-4-2-3-5-8(7)12-9(6)10(11)13/h2-5,12H,1H3,(H2,11,13)
InChIKey
AGLXAUZHPJSEET-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1[nH]c2c(c1C)cccc2
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)C)C(=O)N
Calculated Properties
JChem
Acid pKa
13.596776
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.3560705
LogD (pH = 7.4)
1.3560704
Log P
1.3560706
Molar Refractivity
51.1416
Polarizability
20.146694
Polar Surface Area
58.88
Rotatable Bonds
1
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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