Molecule

ID:36393

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₄
Molecular Mass
294.34618
Exact Mass
294.15795719
Charge
0
InChI
InChI=1S/C15H22N2O4/c1-4-16(5-2)14(18)10-17(11-15(19)20)12-6-8-13(21-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKey
HXELZJZGTHCRFH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)N(CC)CC)CC(=O)O
Isomeric Smiles
C(=O)(CN(CC(=O)O)c1ccc(cc1)OC)N(CC)CC
Calculated Properties
JChem
Acid pKa
4.2456775
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.04194469
LogD (pH = 7.4)
-1.7682526
Log P
1.2336105
Molar Refractivity
80.2318
Polarizability
30.471209
Polar Surface Area
70.08
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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