Molecule

ID:38084

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₄
Molecular Mass
304.341
Exact Mass
304.14230713
Charge
0
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)18-9-11(8-13(18)19)14(20)17-12-6-4-10(5-7-12)15(21)22/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,21,22)
InChIKey
CPVQVSILCQNSOF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC(=O)N(C1)C(C)(C)C)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
N1(C(=O)CC(C(=O)Nc2ccc(C(=O)O)cc2)C1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
4.1598086
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.18823421
LogD (pH = 7.4)
-1.8918355
Log P
1.1685632
Molar Refractivity
82.5796
Polarizability
30.949007
Polar Surface Area
86.71
Rotatable Bonds
4
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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