Molecule

ID:23642

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C16H22N2O4/c1-3-18(4-2)16(22)12-7-5-8-13(11-12)17-14(19)9-6-10-15(20)21/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKey
PAKNSOTVIKMYNE-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccc(c1)NC(=O)CCCC(=O)O)CC
Isomeric Smiles
C(=O)(c1cc(NC(=O)CCCC(=O)O)ccc1)N(CC)CC
Calculated Properties
JChem
Acid pKa
3.9145105
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.09974273
LogD (pH = 7.4)
-1.7140524
Log P
1.4919959
Molar Refractivity
84.7843
Polarizability
31.482191
Polar Surface Area
86.71
Rotatable Bonds
8
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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