Molecule

ID:36296

General Information
Structure
Molecular Formula
C₁₈H₂₆N₂O₄
Molecular Mass
334.41004
Exact Mass
334.18925732
Charge
0
InChI
InChI=1S/C18H26N2O4/c1-24-16-9-7-15(8-10-16)20(13-18(22)23)12-17(21)19-11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,19,21)(H,22,23)
InChIKey
RRTBQASHSMHCEC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCC1CCCCC1
Isomeric Smiles
N(CC(=O)NCC1CCCCC1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.040617
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.9400748
LogD (pH = 7.4)
-0.72470963
Log P
2.4106019
Molar Refractivity
91.5829
Polarizability
35.255962
Polar Surface Area
78.87
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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