Molecule
ID:75274
General Information
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-13-9-5-7-8(6-10(9)14-2)12-4-3-11-7/h3-6H,1-2H3
InChIKey
GKKZBRQHUWQKMA-UHFFFAOYSA-N
Canonic Smiles
COc1cc2nccnc2cc1OC
Isomeric Smiles
n1ccnc2cc(c(cc12)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.983363
LogD (pH = 7.4)
0.98373115
Log P
0.98373586
Molar Refractivity
50.3768
Polarizability
21.085777
Polar Surface Area
44.24
Rotatable Bonds
2
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
No Data Available
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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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