Molecule

ID:77130

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-11(13-14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,14H,(H2,12,13)
InChIKey
UHJICFSTOCFOND-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc2c(c1)cccc2)\N
Isomeric Smiles
N/C(=N\O)/c1cc2ccccc2cc1
Calculated Properties
JChem
Acid pKa
10.058684
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7936269
LogD (pH = 7.4)
1.8777419
Log P
1.8800093
Molar Refractivity
55.5304
Polarizability
22.2543
Polar Surface Area
58.61
Rotatable Bonds
1
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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