Molecule

ID:131700

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₆O₄
Molecular Mass
376.41026
Exact Mass
376.18590328
Charge
0
InChI
InChI=1S/C17H24N6O4/c1-22-9-19-8-10(22)7-12(21-16(26)11-4-5-14(24)20-11)17(27)23-6-2-3-13(23)15(18)25/h8-9,11-13H,2-7H2,1H3,(H2,18,25)(H,20,24)(H,21,26)
InChIKey
GRVNJOGSEQKVQW-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1cncn1C
Isomeric Smiles
Cn1cncc1CC(C(=O)N1CCCC1C(=O)N)NC(=O)C1CCC(=O)N1
Calculated Properties
JChem
Acid pKa
11.204177
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-3.5495477
LogD (pH = 7.4)
-3.0901554
Log P
-3.0441527
Molar Refractivity
94.6523
Polarizability
36.376553
Polar Surface Area
139.42
Rotatable Bonds
6
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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