SMILES:
COc1ncnc(OC)c1N(Cn1cccn1)C(=O)CClMolecular Processing
Molecular formula
C12H14ClN5O3
Molecular weight
311.73
Exact mass
311.0785
XLogP
0.92
TPSA
82.37
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
75.57
Supplementary Information
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