Molecule

ID:36301

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-20-12-6-4-11(5-7-12)16(9-14(18)19)8-13(17)15-10-2-3-10/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)(H,18,19)
InChIKey
VFZYLEHZFUUAMZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)NC1CC1)CC(=O)O
Isomeric Smiles
N(CC(=O)NC1CC1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.074113
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.67658734
LogD (pH = 7.4)
-2.3531482
Log P
0.761883
Molar Refractivity
73.0491
Polarizability
27.923792
Polar Surface Area
78.87
Rotatable Bonds
7
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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