Molecule

ID:30626

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-9-5-6(4-8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChIKey
ZTSFRVGFCBTSDZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cnn(c1)C
Isomeric Smiles
n1n(cc(c1)CCC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.0672374
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9701325
LogD (pH = 7.4)
-2.641044
Log P
0.48342282
Molar Refractivity
50.87
Polarizability
14.98734
Polar Surface Area
55.12
Rotatable Bonds
3
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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