Molecule

ID:40215

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₅
Molecular Mass
305.286
Exact Mass
305.1011706
Charge
0
InChI
InChI=1S/C14H15N3O5/c1-20-10-6-4-9(5-7-10)17-11(8-12(18)21-2)13(15-16-17)14(19)22-3/h4-7H,8H2,1-3H3
InChIKey
HRKZOCVXWPNZBZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1c(nnn1c1ccc(cc1)OC)C(=O)OC
Isomeric Smiles
c1(c(nnn1c1ccc(cc1)OC)C(=O)OC)CC(=O)OC
Calculated Properties
JChem
Acid pKa
18.539743
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.4134879
LogD (pH = 7.4)
1.413488
Log P
1.413488
Molar Refractivity
76.8474
Polarizability
29.842373
Polar Surface Area
92.54
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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