Molecule

ID:32217

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c18-13(6-7-14(19)20)16-12-5-3-4-11(10-12)15(21)17-8-1-2-9-17/h3-5,10H,1-2,6-9H2,(H,16,18)(H,19,20)
InChIKey
IHKPYRWTCJENLV-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)C(=O)N1CCCC1)CCC(=O)O
Isomeric Smiles
C(=O)(N1CCCC1)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.720626
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0393063
LogD (pH = 7.4)
-2.5574522
Log P
0.7396088
Molar Refractivity
78.2271
Polarizability
28.936178
Polar Surface Area
86.71
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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