Molecule

ID:60416

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-7-6-9(11(12)14)8-4-2-3-5-10(8)13-7/h2-6H,1H3,(H2,12,14)
InChIKey
GPTOAZYKFYMYMW-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccc2c(c1)C(=O)N
Isomeric Smiles
c1(C(=O)N)c2c(nc(c1)C)cccc2
Calculated Properties
JChem
Acid pKa
14.653073
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1081496
LogD (pH = 7.4)
1.1128507
Log P
1.112911
Molar Refractivity
53.6492
Polarizability
21.558603
Polar Surface Area
55.98
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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