Molecule

ID:37717

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)
InChIKey
BKBIGCHIMUUAID-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C(=O)N(C)C
Isomeric Smiles
C(=O)(N1CC(C(=O)O)CCC1)N(C)C
Calculated Properties
JChem
Acid pKa
4.498981
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2811471
LogD (pH = 7.4)
-3.0499172
Log P
-0.2401115
Molar Refractivity
50.9573
Polarizability
19.524504
Polar Surface Area
60.85
Rotatable Bonds
1
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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