Molecule

ID:130963

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃N₃O₄
Molecular Mass
333.38222
Exact Mass
333.16885623
Charge
0
InChI
InChI=1S/C17H23N3O4/c1-11(18)16(22)20-9-5-8-14(20)15(21)19-13(17(23)24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)
InChIKey
GMGWOTQMUKYZIE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(N)C
Isomeric Smiles
CC(C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.7157674
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.9888816
LogD (pH = 7.4)
-2.0594733
Log P
-1.9871943
Molar Refractivity
87.4002
Polarizability
34.350582
Polar Surface Area
112.73
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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