Molecule

ID:44551

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c1-2-14-9(12)8(10-13)11-6-4-3-5-7-11/h13H,2-7H2,1H3/b10-8+
InChIKey
FZDWJXCSMDRPCX-CSKARUKUSA-N
Canonic Smiles
CCOC(=O)/C(=N\O)/N1CCCCC1
Isomeric Smiles
C(=N\O)(/N1CCCCC1)\C(=O)OCC
Calculated Properties
JChem
Acid pKa
7.5130553
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1177629
LogD (pH = 7.4)
0.8751733
Log P
1.1219392
Molar Refractivity
51.9336
Polarizability
19.96232
Polar Surface Area
62.13
Rotatable Bonds
3
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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