Molecule

ID:23675

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₄
Molecular Mass
332.39416
Exact Mass
332.17360726
Charge
0
InChI
InChI=1S/C18H24N2O4/c1-11(2)16(21)19-12-6-5-7-13(10-12)20-17(22)14-8-3-4-9-15(14)18(23)24/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
MMZYHOUDUFRKGY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)C)Nc1cccc(c1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(NC(=O)C(C)C)ccc1
Calculated Properties
JChem
Acid pKa
4.1837583
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.6943669
LogD (pH = 7.4)
-0.016006527
Log P
3.0284355
Molar Refractivity
92.4275
Polarizability
34.631863
Polar Surface Area
95.5
Rotatable Bonds
5
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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