Molecule

ID:63072

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O
Molecular Mass
162.1885
Exact Mass
162.07931295
Charge
0
InChI
InChI=1S/C9H10N2O/c1-11-5-6-2-3-7(10)4-8(6)9(11)12/h2-4H,5,10H2,1H3
InChIKey
CDYSDJOORITTLL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)C(=O)N(C2)C
Isomeric Smiles
N1(Cc2ccc(cc2C1=O)N)C
Calculated Properties
JChem
Acid pKa
15.570402
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.19176379
LogD (pH = 7.4)
0.19351718
Log P
0.19353959
Molar Refractivity
48.1848
Polarizability
17.25089
Polar Surface Area
46.33
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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