Molecule

ID:87703

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-13-10-5-3-2-4-8(10)9-6-7-11-12-9/h2-7H,1H3,(H,11,12)
InChIKey
KLPGJCMICASHKV-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1cc[nH]n1
Isomeric Smiles
n1c(c2c(cccc2)OC)cc[nH]1
Calculated Properties
JChem
Acid pKa
14.608179
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1527488
LogD (pH = 7.4)
2.1528332
Log P
2.1528342
Molar Refractivity
50.9728
Polarizability
20.634737
Polar Surface Area
37.91
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
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Molecule Details
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References
Bioactivity
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