Molecule

ID:131666

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉N₅O₆
Molecular Mass
399.44206
Exact Mass
399.21178367
Charge
0
InChI
InChI=1S/C17H29N5O6/c1-9(24)13(21-15(26)10-4-2-6-19-10)17(28)22-7-3-5-12(22)16(27)20-11(8-23)14(18)25/h9-13,19,23-24H,2-8H2,1H3,(H2,18,25)(H,20,27)(H,21,26)
InChIKey
UMIXOKDUTWTCDE-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)N)NC(=O)C1CCCN1C(=O)C(C(O)C)NC(=O)C1CCCN1
Isomeric Smiles
CC(C(C(=O)N1CCCC1C(=O)NC(CO)C(=O)N)NC(=O)C1CCCN1)O
Calculated Properties
JChem
Acid pKa
11.659428
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-7.091199
LogD (pH = 7.4)
-5.9964676
Log P
-3.9182203
Molar Refractivity
96.974
Polarizability
38.389004
Polar Surface Area
174.09
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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