Molecule

ID:126

General Information
Structure
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Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
UZVHFVZFNXBMQJ-UHFFFAOYSA-N
Canonic Smiles
C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
Isomeric Smiles
O=C1NC(=O)NC(=O)C1(CC(C)C)CC=C
Calculated Properties
JChem
LogD (pH = 7.4)
1.33
LogD (pH = 5.5)
1.58
Log P
1.59
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
22.43
Molar Refractivity
58.05
LOG S
-2.78
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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