Molecule

ID:132242

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇N₃O₇
Molecular Mass
373.40148
Exact Mass
373.18490022
Charge
0
InChI
InChI=1S/C16H27N3O7/c1-9(16(25)26-10(2)15(23)24)18-14(22)13(19-12(4)21)7-5-6-8-17-11(3)20/h9-10,13H,5-8H2,1-4H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)
InChIKey
LOEWINUIHJAOMZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NC(C(=O)NC(C(=O)OC(C(=O)O)C)C)CCCCNC(=O)C
Isomeric Smiles
CC(C(=O)OC(C)C(=O)O)NC(=O)C(CCCCNC(=O)C)NC(=O)C
Calculated Properties
JChem
Acid pKa
3.6049557
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-3.3074062
LogD (pH = 7.4)
-4.7581196
Log P
-1.4167962
Molar Refractivity
89.3421
Polarizability
35.333782
Polar Surface Area
150.9
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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