SMILES:
Cc1ccnc2c1C(=NNC(=N)NO)CC(c1ccccc1Cl)C2.ClMolecular Processing
Molecular formula
C17H19Cl2N5O
Molecular weight
380.28
Exact mass
379.0967
XLogP
3.4
TPSA
93.39
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.235
Molar refractivity
101.06
Supplementary Information
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