Molecule

ID:28325

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O₄
Molecular Mass
289.2866
Exact Mass
289.10625598
Charge
0
InChI
InChI=1S/C14H15N3O4/c1-9-13(17(19)20)10(2)16(15-9)8-11-6-4-5-7-12(11)14(18)21-3/h4-7H,8H2,1-3H3
InChIKey
RINMAGDRXPTEJV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])C
Isomeric Smiles
c1(c(n(nc1C)Cc1c(C(=O)OC)cccc1)C)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.399901
LogD (pH = 7.4)
2.3999708
Log P
2.3999717
Molar Refractivity
88.6652
Polarizability
28.378374
Polar Surface Area
89.94
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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