Molecule

ID:23657

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C16H22N2O4/c1-2-3-10-17-16(22)12-6-4-7-13(11-12)18-14(19)8-5-9-15(20)21/h4,6-7,11H,2-3,5,8-10H2,1H3,(H,17,22)(H,18,19)(H,20,21)
InChIKey
LLCXKALPKQDOFF-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1cccc(c1)NC(=O)CCCC(=O)O
Isomeric Smiles
C(=O)(c1cc(NC(=O)CCCC(=O)O)ccc1)NCCCC
Calculated Properties
JChem
Acid pKa
3.917166
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.28943026
LogD (pH = 7.4)
-1.3260453
Log P
1.878603
Molar Refractivity
84.264
Polarizability
31.482412
Polar Surface Area
95.5
Rotatable Bonds
9
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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