Molecule

ID:75280

General Information
Structure
Molecular Formula
C₁₂H₁₄N₂O₂
Molecular Mass
218.25176
Exact Mass
218.1055277
Charge
0
InChI
InChI=1S/C12H14N2O2/c1-7-8(2)14-10-6-12(16-4)11(15-3)5-9(10)13-7/h5-6H,1-4H3
InChIKey
IZUXTDPRBHCJMZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc2nc(C)c(nc2cc1OC)C
Isomeric Smiles
n1c(c(nc2cc(c(cc12)OC)OC)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2452284
LogD (pH = 7.4)
1.2464604
Log P
1.2464762
Molar Refractivity
59.5598
Polarizability
24.613895
Polar Surface Area
44.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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