Molecule

ID:61438

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-3-9-6(7(10)11)4-5(2)8-9/h4H,3H2,1-2H3,(H,10,11)
InChIKey
VFMGOJUUTAPPDA-UHFFFAOYSA-N
Canonic Smiles
CCn1nc(cc1C(=O)O)C
Isomeric Smiles
n1(nc(cc1C(=O)O)C)CC
Calculated Properties
JChem
Acid pKa
3.3195918
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7374833
LogD (pH = 7.4)
-2.963884
Log P
0.29111353
Molar Refractivity
51.4352
Polarizability
14.897944
Polar Surface Area
55.12
Rotatable Bonds
2
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
References
Bioactivity
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