Molecule

ID:66987

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₄
Molecular Mass
332.39416
Exact Mass
332.17360726
Charge
0
InChI
InChI=1S/C18H24N2O4/c1-17(2,3)24-16(22)20-9-7-18(8-10-20)13-11-12(23-4)5-6-14(13)19-15(18)21/h5-6,11H,7-10H2,1-4H3,(H,19,21)
InChIKey
ICAYJBMICZNBCC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)N2
Isomeric Smiles
N1C(=O)C2(c3cc(ccc13)OC)CCN(CC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.694331
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1566284
LogD (pH = 7.4)
2.1566281
Log P
2.1566284
Molar Refractivity
91.3489
Polarizability
34.764614
Polar Surface Area
67.87
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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