Name: product
SMILES:
C#CCOc1cc(NN=C2CCCCN2C(=O)OC)c(Cl)cc1ClMolecular Processing
Molecular formula
C16H17Cl2N3O3
Molecular weight
370.24
Exact mass
369.0647
XLogP
3.98
TPSA
63.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
94.81
Supplementary Information
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