Molecule

ID:36387

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₅
Molecular Mass
349.38162
Exact Mass
349.16377085
Charge
0
InChI
InChI=1S/C17H23N3O5/c1-25-14-6-4-13(5-7-14)20(11-16(22)23)10-15(21)19-8-2-3-12(9-19)17(18)24/h4-7,12H,2-3,8-11H2,1H3,(H2,18,24)(H,22,23)
InChIKey
NUUFWCVIEUJANM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)N1CCCC(C1)C(=O)N)CC(=O)O
Isomeric Smiles
N1(C(=O)CN(CC(=O)O)c2ccc(cc2)OC)CC(C(=O)N)CCC1
Calculated Properties
JChem
Acid pKa
3.9777563
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.5887827
LogD (pH = 7.4)
-3.2296212
Log P
-0.057929967
Molar Refractivity
90.7847
Polarizability
34.69327
Polar Surface Area
113.17
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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