Molecule

ID:36397

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₅
Molecular Mass
349.38162
Exact Mass
349.16377085
Charge
0
InChI
InChI=1S/C17H23N3O5/c1-2-25-17(24)19-10-8-18(9-11-19)15(21)12-20(13-16(22)23)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,22,23)
InChIKey
KIXJFPBHDUBIER-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCN(CC1)C(=O)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
C(=O)(N1CCN(C(=O)OCC)CC1)CN(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.294385
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.5020218
LogD (pH = 7.4)
-2.2392957
Log P
0.7277788
Molar Refractivity
90.9649
Polarizability
34.710255
Polar Surface Area
90.39
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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