名称: product
SMILES:
CN1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1.ClMolecular Processing
Molecular formula
C12H14ClN3O2
Molecular weight
267.72
Exact mass
267.0775
XLogP
0.63
TPSA
68.96
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
72.48
Supplementary Information
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