Molecule

ID:70663

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h3-6H,1-2H3
InChIKey
CRAYFGFTLBTRRS-UHFFFAOYSA-N
Canonic Smiles
COc1nc2ccccc2nc1OC
Isomeric Smiles
n1c(c(nc2ccccc12)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1726506
LogD (pH = 7.4)
2.1726508
Log P
2.1726508
Molar Refractivity
51.0038
Polarizability
21.097002
Polar Surface Area
44.24
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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