Molecule

ID:69320

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂O₃
Molecular Mass
212.24564
Exact Mass
212.11609238
Charge
0
InChI
InChI=1S/C10H16N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
RCOUWKSZRXJXLA-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCC)C(=O)NC(=O)NC1=O
Isomeric Smiles
C1(=O)NC(=O)C(C(=O)N1)(CCC)CCC
Calculated Properties
JChem
Acid pKa
7.4846516
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6018075
LogD (pH = 7.4)
1.3494908
Log P
1.6062322
Molar Refractivity
53.4543
Polarizability
20.98239
Polar Surface Area
75.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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