Molecule

ID:110257

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₄O₅
Molecular Mass
360.3645
Exact Mass
360.14336976
Charge
0
InChI
InChI=1S/C17H20N4O5/c22-7-11-13(23)14(24)17(26-11)21-9-18-12-15(21)19-8-20(16(12)25)6-10-4-2-1-3-5-10/h1-5,9,11,13-14,17,22-25H,6-8H2
InChIKey
XCYYOYQSXBQLPW-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1O)O)n1cnc2=C(N(CN=c12)Cc1ccccc1)O
Isomeric Smiles
OCC1OC(C(O)C1O)n1cnc2=C(O)N(CN=c12)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
8.667189
H Acceptors
9
H Donor
4
LogD (pH = 5.5)
-0.0016383259
LogD (pH = 7.4)
-0.024197716
Log P
-0.001342468
Molar Refractivity
101.2331
Polarizability
35.164116
Polar Surface Area
121.35
Rotatable Bonds
4
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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