Molecule

ID:75932

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5,10H2,1H3
InChIKey
ZGLUKQQSWABKDH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CC(=O)N2C
Isomeric Smiles
N1(C(=O)Cc2c1ccc(c2)N)C
Calculated Properties
JChem
Acid pKa
13.7365465
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.09843885
LogD (pH = 7.4)
0.10707881
Log P
0.1071903
Molar Refractivity
47.4012
Polarizability
17.45439
Polar Surface Area
46.33
Rotatable Bonds
0
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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