Molecule

ID:126270

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-5-6-11(7(2)3)8(14)12-10(16)13(4)9(11)15/h5,7H,1,6H2,2-4H3,(H,12,14,16)
InChIKey
AXJXURWWUFZZKN-UHFFFAOYSA-N
Canonic Smiles
C=CCC1(C(C)C)C(=O)NC(=O)N(C1=O)C
Isomeric Smiles
O=C1NC(=O)N(C)C(=O)C1(C(C)C)CC=C
Calculated Properties
JChem
Acid pKa
8.7411585
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3681244
LogD (pH = 7.4)
1.3492361
Log P
1.3683707
Molar Refractivity
58.3427
Polarizability
22.561075
Polar Surface Area
66.48
Rotatable Bonds
3
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
References
Bioactivity
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