Molecule

ID:129769

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₃
Molecular Mass
240.2988
Exact Mass
240.14739251
Charge
0
InChI
InChI=1S/C12H20N2O3/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKey
ZLUNGGZJSQDFPH-UHFFFAOYSA-N
Canonic Smiles
CCCC(C1(CC)C(=O)NC(=O)NC1=O)CC
Isomeric Smiles
O=C1NC(=O)NC(=O)C1(C(CC)CCC)CC
Calculated Properties
JChem
Acid pKa
8.481922
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3373725
LogD (pH = 7.4)
2.3036773
Log P
2.3378198
Molar Refractivity
62.6039
Polarizability
24.639286
Polar Surface Area
75.27
Rotatable Bonds
5
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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