Molecule

ID:23582

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-9(2)14(20)16-11-5-3-10(4-6-11)15-12(17)7-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKey
RQJBAVMHYSPNGM-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1ccc(cc1)NC(=O)CCC(=O)O)C
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)CCC(=O)O)cc1)C(C)C
Calculated Properties
JChem
Acid pKa
3.9595735
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.031279925
LogD (pH = 7.4)
-1.6647453
Log P
1.5170515
Molar Refractivity
75.8787
Polarizability
28.017168
Polar Surface Area
95.5
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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