SMILES:
Cc1c(Cl)ccnc1C(=O)NCCN.ClMolecular Processing
Molecular formula
C9H13Cl2N3O
Molecular weight
250.13
Exact mass
249.0436
XLogP
1.15
TPSA
68.01
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
62.62
Supplementary Information
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