Molecule

ID:39214

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₅
Molecular Mass
348.39356
Exact Mass
348.16852188
Charge
0
InChI
InChI=1S/C18H24N2O5/c1-10-12(13-8-11(24-5)6-7-14(13)19-10)9-15(16(21)22)20-17(23)25-18(2,3)4/h6-8,15,19H,9H2,1-5H3,(H,20,23)(H,21,22)
InChIKey
GLKSHZNZQVZZJQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CC(C(=O)O)NC(=O)OC(C)(C)C)c([nH]2)C
Isomeric Smiles
c1(ccc2c(c1)c(c([nH]2)C)CC(C(=O)O)NC(=O)OC(C)(C)C)OC
Calculated Properties
JChem
Acid pKa
3.9744263
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.1763148
LogD (pH = 7.4)
-0.46318987
Log P
2.7103646
Molar Refractivity
92.6887
Polarizability
36.96201
Polar Surface Area
100.65
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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