Molecule

ID:61012

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-13-9-4-2-3-8(7-9)10-5-6-11-12-10/h2-7H,1H3,(H,11,12)
InChIKey
JAZQIOZMPNVSII-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1n[nH]cc1
Isomeric Smiles
n1c(cc[nH]1)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
14.782098
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.152678
LogD (pH = 7.4)
2.1528323
Log P
2.1528342
Molar Refractivity
50.9728
Polarizability
20.63044
Polar Surface Area
37.91
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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