名称: 4-iodo-1-isopropyl-1H-indazole-6-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc(I)c2cnn(C(C)C)c2c1Molecular Processing
Molecular formula
C12H13IN2O2
Molecular weight
344.15
Exact mass
344.0022
XLogP
3.01
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
74.17
Supplementary Information
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