Molecule

ID:85269

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₅O₄
Molecular Mass
321.33176
Exact Mass
321.14370411
Charge
0
InChI
InChI=1S/C14H19N5O4/c1-16-11-10(12(20)17(2)14(16)21)19(7-9-8-23-9)13(15-11)18-3-5-22-6-4-18/h9H,3-8H2,1-2H3
InChIKey
ATURGUAKMMAQKR-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(C)c(=O)c2c1nc(n2CC1CO1)N1CCOCC1
Isomeric Smiles
n1c(N2CCOCC2)n(c2c1n(c(=O)n(c2=O)C)C)CC1OC1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-0.13058579
LogD (pH = 7.4)
-0.13058557
Log P
-0.13058557
Molar Refractivity
81.5523
Polarizability
30.049541
Polar Surface Area
83.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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