Molecule

ID:59776

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c1-2-3-7-12(15(19)20)17-14(18)13-9-10-6-4-5-8-11(10)16-13/h4-6,8-9,12,16H,2-3,7H2,1H3,(H,17,18)(H,19,20)
InChIKey
GXFLWIWAJYBOEM-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(=O)O)NC(=O)c1cc2c([nH]1)cccc2
Isomeric Smiles
c1([nH]c2c(c1)cccc2)C(=O)NC(C(=O)O)CCCC
Calculated Properties
JChem
Acid pKa
4.1134377
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.123807
LogD (pH = 7.4)
-0.56571585
Log P
2.5247326
Molar Refractivity
75.3016
Polarizability
29.926987
Polar Surface Area
82.19
Rotatable Bonds
6
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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