名称: 4-(2-methyl-[1,3]dioxolan-2-yl)-2-(4-nitro-[1,2,3]triazol-2-ylmethyl)-pyridine
SMILES:
CC1(c2ccnc(Cn3ncc([N+](=O)[O-])n3)c2)OCCO1Molecular Processing
Molecular formula
C12H13N5O4
Molecular weight
291.27
Exact mass
291.0968
XLogP
0.85
TPSA
105.2
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.27
Supplementary Information
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