Molecule

ID:36370

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₅
Molecular Mass
349.38162
Exact Mass
349.16377085
Charge
0
InChI
InChI=1S/C17H23N3O5/c1-13(21)18-7-9-19(10-8-18)16(22)11-20(12-17(23)24)14-3-5-15(25-2)6-4-14/h3-6H,7-12H2,1-2H3,(H,23,24)
InChIKey
RYVYRABOXOAJMH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)N1CCN(CC1)C(=O)C)CC(=O)O
Isomeric Smiles
C(=O)(N1CCN(C(=O)C)CC1)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.081103
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.8377883
LogD (pH = 7.4)
-3.5167181
Log P
-0.40599155
Molar Refractivity
91.0559
Polarizability
34.69327
Polar Surface Area
90.39
Rotatable Bonds
6
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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