Molecule

ID:84016

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₃
Molecular Mass
170.1659
Exact Mass
170.06914219
Charge
0
InChI
InChI=1S/C7H10N2O3/c1-3-12-7-4(9(2)8)5(10)6(7)11/h3,8H2,1-2H3
InChIKey
WIDAVRPWQRQITQ-UHFFFAOYSA-N
Canonic Smiles
CCOC1=C(C(=O)C1=O)N(N)C
Isomeric Smiles
N(C1=C(OCC)C(=O)C1=O)(N)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.6803856
LogD (pH = 7.4)
-0.646594
Log P
-0.6461457
Molar Refractivity
45.2112
Polarizability
16.139162
Polar Surface Area
72.63
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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