Molecule

ID:58302

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₄
Molecular Mass
304.341
Exact Mass
304.14230713
Charge
0
InChI
InChI=1S/C16H20N2O4/c1-2-3-8-18-10-12(9-14(18)19)15(20)17-13-6-4-11(5-7-13)16(21)22/h4-7,12H,2-3,8-10H2,1H3,(H,17,20)(H,21,22)
InChIKey
VVRMSKUHPMVTPW-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CC(CC1=O)C(=O)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
C1(C(=O)Nc2ccc(C(=O)O)cc2)CN(C(=O)C1)CCCC
Calculated Properties
JChem
Acid pKa
4.159808
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.081705205
LogD (pH = 7.4)
-1.6218961
Log P
1.4385026
Molar Refractivity
82.6476
Polarizability
30.949007
Polar Surface Area
86.71
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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