Molecule

ID:115411

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-9-11-12-10(14-9)7-4-3-5-8(13)6-7/h3-6,13H,2H2,1H3
InChIKey
BRICKEIGCXFQMO-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(o1)c1cccc(c1)O
Isomeric Smiles
n1c(oc(n1)CC)c1cc(O)ccc1
Calculated Properties
JChem
Acid pKa
9.284458
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.49942
LogD (pH = 7.4)
1.4938978
Log P
1.4994911
Molar Refractivity
63.1337
Polarizability
19.928389
Polar Surface Area
59.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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