이름: (Z)-tert-butyl (6-(chloro(hydroxyimino)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylcarbamate
SMILES:
CC(C)(C)OC(=O)NCc1nnc2ccc(/C(Cl)=N/O)nn12Molecular Processing
Molecular formula
C12H15ClN6O3
Molecular weight
326.74
Exact mass
326.0894
XLogP
1.52
TPSA
114
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
78.03
Supplementary Information
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