N#Cc1c2cc(C3CC3)c([N+](=O)[O-])cc2[n+]([O-])n1-c1ccc(Cl)cc1
名称: 2-(4-chlorophenyl)-5-cyclopropyl-6-nitro-2H-indazole-3-carbonitrile 1-oxide
SMILES: N#Cc1c2cc(C3CC3)c([N+](=O)[O-])cc2[n+]([O-])n1-c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C17H11ClN4O3
Molecular weight
354.75
Exact mass
354.052
XLogP
3.57
TPSA
98.8
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
90.59

Supplementary Information

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