Molecule

ID:14861

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,11H2,1H3,(H,12,13)
InChIKey
QYLMWCYPOBDWHH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)c(C)cc(n2)O
Isomeric Smiles
c12c(c(cc(n1)O)C)cc(cc2)N
Calculated Properties
JChem
Acid pKa
12.907778
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.103133
LogD (pH = 7.4)
2.106247
Log P
2.1062882
Molar Refractivity
52.0153
Polarizability
20.468172
Polar Surface Area
59.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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