Molecule

ID:57620

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-6-4-8-9(5-6)3-2-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChIKey
YKUGTKGRFAGQNQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(nc1)CCC(=O)O
Isomeric Smiles
n1(cc(cn1)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.1269646
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.76724917
LogD (pH = 7.4)
-2.4579105
Log P
0.62952334
Molar Refractivity
50.7866
Polarizability
14.991548
Polar Surface Area
55.12
Rotatable Bonds
3
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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