Molecule

ID:42260

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₃
Molecular Mass
202.25082
Exact Mass
202.13174245
Charge
0
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)10-6-7(12)11(4)5/h6H2,1-5H3,(H,10,13)
InChIKey
PIHHWCMBAMTJAK-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC(=O)N(C)C
Isomeric Smiles
C(=O)(NCC(=O)N(C)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.85879
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.014968654
LogD (pH = 7.4)
-0.014968786
Log P
-0.014968652
Molar Refractivity
52.492
Polarizability
20.473381
Polar Surface Area
58.64
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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