Molecule

ID:41240

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O
Molecular Mass
210.2313
Exact Mass
210.07931295
Charge
0
InChI
InChI=1S/C13H10N2O/c1-16-12-4-2-11(3-5-12)13-8-10(9-14)6-7-15-13/h2-8H,1H3
InChIKey
QMGLKQCZSCZZPP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nccc(c1)C#N
Isomeric Smiles
c1cnc(cc1C#N)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.487071
LogD (pH = 7.4)
2.487074
Log P
2.487074
Molar Refractivity
60.8501
Polarizability
24.765202
Polar Surface Area
45.91
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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