Molecule
ID:51494
General Information
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c11-9-7-8(13)3-4-10(9)12-5-1-2-6-12/h1-7,13H,11H2
InChIKey
YNVNQLJBQDOBDK-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)N)n1cccc1
Isomeric Smiles
n1(c2c(cc(cc2)O)N)cccc1
Calculated Properties
JChem
Acid pKa
10.85248
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4669
LogD (pH = 7.4)
1.4936914
Log P
1.4942
Molar Refractivity
62.4917
Polarizability
20.05987
Polar Surface Area
51.18
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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