Molecule

ID:9417

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12/h2-8H,1H3
InChIKey
XNLOIFUGGCCEQX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1cncc1
Isomeric Smiles
n1(c2ccc(cc2)OC)ccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1034045
LogD (pH = 7.4)
1.5461913
Log P
1.578739
Molar Refractivity
60.4696
Polarizability
19.936247
Polar Surface Area
27.05
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
No Data Available
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Molecule Details
References
Bioactivity
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