Molecule

ID:33650

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-4-6(3-7(8)10)5(2)11-9-4/h3H2,1-2H3,(H2,8,10)
InChIKey
GNKYGZKKLUVDPI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1c(C)noc1C
Isomeric Smiles
c1(c(onc1C)C)CC(=O)N
Calculated Properties
JChem
Acid pKa
15.153678
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.50051904
LogD (pH = 7.4)
-0.5004722
Log P
-0.5004716
Molar Refractivity
40.371
Polarizability
14.794287
Polar Surface Area
69.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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