Molecule

ID:18042

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-5-6(4-10)7(11-3)9(2)8-5/h4H,1-3H3
InChIKey
HITOGDKGNNDJPC-UHFFFAOYSA-N
Canonic Smiles
COc1n(C)nc(c1C=O)C
Isomeric Smiles
c1(c(n(nc1C)C)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.1762647
LogD (pH = 7.4)
0.17659393
Log P
0.17659813
Molar Refractivity
51.8534
Polarizability
15.129097
Polar Surface Area
44.12
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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