Molecule

ID:114314

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-11(14)13-7-12-9/h2-7H,1H3,(H,12,13,14)
InChIKey
FBIIBEODPZRTLJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1ncnc(c1)O
Isomeric Smiles
c1(cc(ncn1)O)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
12.1712265
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.216031
LogD (pH = 7.4)
2.2160249
Log P
2.216032
Molar Refractivity
56.2441
Polarizability
22.61881
Polar Surface Area
55.24
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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