Molecule

ID:71801

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-3-5-4-6(7(10)11)8-9(5)2/h4H,3H2,1-2H3,(H,10,11)
InChIKey
UXDZNQXVCFIDJL-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(nn1C)C(=O)O
Isomeric Smiles
n1(c(cc(n1)C(=O)O)CC)C
Calculated Properties
JChem
Acid pKa
3.1757197
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.13612
LogD (pH = 7.4)
-2.2834702
Log P
1.1666229
Molar Refractivity
51.5193
Polarizability
14.902189
Polar Surface Area
55.12
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
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Molecule Details
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References
Bioactivity
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