Molecule

ID:197

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₃
Molecular Mass
226.27222
Exact Mass
226.13174245
Charge
0
InChI
InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
WEXRUCMBJFQVBZ-UHFFFAOYSA-N
Canonic Smiles
CCCC(C1(CC)C(=O)NC(=O)NC1=O)C
Isomeric Smiles
O=C1NC(=O)NC(=O)C1(C(CCC)C)CC
Calculated Properties
JChem
LogD (pH = 7.4)
1.64
LogD (pH = 5.5)
1.89
Log P
1.89
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.48
Polar Surface Area
75.27
Polarizability
23.27
Molar Refractivity
58.00
LOG S
-3.09
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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