Molecule

ID:42456

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₄O₄
Molecular Mass
318.32782
Exact Mass
318.13280508
Charge
0
InChI
InChI=1S/C15H18N4O4/c1-5-23-14(20)11-9-12(15(2,3)4)17-18(11)13-10(19(21)22)7-6-8-16-13/h6-9H,5H2,1-4H3
InChIKey
AZRQJKDJUDMPDX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1c1ncccc1[N+](=O)[O-])C(C)(C)C
Isomeric Smiles
n1(c(cc(n1)C(C)(C)C)C(=O)OCC)c1c(cccn1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.5870206
LogD (pH = 7.4)
3.5870261
Log P
3.5870264
Molar Refractivity
84.8463
Polarizability
31.35137
Polar Surface Area
102.83
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
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References
Bioactivity
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