Molecule

ID:37040

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₂
Molecular Mass
154.1665
Exact Mass
154.07422757
Charge
0
InChI
InChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)8-9(5)2/h4H,1-3H3
InChIKey
WOBRRDCECRRRGS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nn(c(c1)C)C
Isomeric Smiles
n1(nc(cc1C)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7899936
LogD (pH = 7.4)
0.7899945
Log P
0.7899945
Molar Refractivity
51.7644
Polarizability
15.142312
Polar Surface Area
44.12
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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