Name: 1-[5-(2-methyl-[1,3]dioxolan-2-yl)-thiophen-2-ylmethyl]-3-nitro-1H-pyrazole
SMILES:
CC1(c2ccc(Cn3ccc([N+](=O)[O-])n3)s2)OCCO1Molecular Processing
Molecular formula
C12H13N3O4S
Molecular weight
295.32
Exact mass
295.0627
XLogP
2.12
TPSA
79.42
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
71.56
Supplementary Information
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