Molecule

ID:59305

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-4(2)7-8-5(10)3-6(11)9-7/h3-4H,1-2H3,(H2,8,9,10,11)
InChIKey
DOZKGELCYBIBBZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1nc(O)cc(=O)[nH]1)C
Isomeric Smiles
n1c(cc(=O)[nH]c1C(C)C)O
Calculated Properties
JChem
Acid pKa
8.162735
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8694704
LogD (pH = 7.4)
0.8012541
Log P
0.87041974
Molar Refractivity
49.8296
Polarizability
15.251372
Polar Surface Area
61.69
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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