Molecule

ID:121361

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₃
Molecular Mass
174.19766
Exact Mass
174.10044232
Charge
0
InChI
InChI=1S/C7H14N2O3/c1-5(2)9-7(11)8-4-6(10)12-3/h5H,4H2,1-3H3,(H2,8,9,11)
InChIKey
JJDDVLSOJBVTPZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC(=O)NC(C)C
Isomeric Smiles
C(=O)(NC(C)C)NCC(=O)OC
Calculated Properties
JChem
Acid pKa
14.74893
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5192214
LogD (pH = 7.4)
-0.5192214
Log P
-0.51922137
Molar Refractivity
42.9571
Polarizability
16.824402
Polar Surface Area
67.43
Rotatable Bonds
4
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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