Molecule

ID:16413

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)8-5-7(11)2-3-9(8)12-6/h2-5H,11H2,1H3,(H,12,13)
InChIKey
VMOLEJRCXLMFFH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)c(O)cc(n2)C
Isomeric Smiles
c12c(c(cc(n1)C)O)cc(cc2)N
Calculated Properties
JChem
Acid pKa
11.591742
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1235491
LogD (pH = 7.4)
1.1296728
Log P
1.1297793
Molar Refractivity
51.2521
Polarizability
20.467144
Polar Surface Area
59.14
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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