الاسم: methyl 6-chloro-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]-2-methyl-2H-indazole-4-carboxylate
SMILES:
COC(=O)/C=C/c1c(Cl)cc2nn(C)cc2c1C(=O)OCMolecular Processing
Molecular formula
C14H13ClN2O4
Molecular weight
308.72
Exact mass
308.0564
XLogP
2.2
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
78.11
Supplementary Information
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