Name: 1-benzyl-6-(2-chlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-one
SMILES:
Cc1nn(Cc2ccccc2)c2c1C(=O)CC(c1ccccc1Cl)C2Molecular Processing
Molecular formula
C21H19ClN2O
Molecular weight
350.85
Exact mass
350.1186
XLogP
4.81
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
99.35
Supplementary Information
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