Molecule
ID:116512
General Information
Molecular Formula
C₁₂H₁₅N₃O₄
Molecular Mass
265.2652
Exact Mass
265.10625598
Charge
0
InChI
InChI=1S/C12H15N3O4/c16-11-10(15(18)19)7-9(8-13-11)12(17)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,13,16)
InChIKey
VIZIEWYIHZQOJX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c[nH]c(=O)c(c1)[N+](=O)[O-])N1CCCCCC1
Isomeric Smiles
c1([N+](=O)[O-])cc(C(=O)N2CCCCCC2)c[nH]c1=O
Calculated Properties
JChem
Acid pKa
7.9360733
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.14646222
LogD (pH = 7.4)
0.051430624
Log P
0.14824833
Molar Refractivity
68.6968
Polarizability
25.328316
Polar Surface Area
95.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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