SMILES:
Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)Cl.ClMolecular Processing
Molecular formula
C16H20Cl2N2O2
Molecular weight
343.25
Exact mass
342.0902
XLogP
4.4
TPSA
43.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
89.43
Supplementary Information
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