SMILES:
COc1ccc(Cl)cc1-c1cc(Nc2ccc(N)cc2)nc(N)n1Molecular Processing
Molecular formula
C17H16ClN5O
Molecular weight
341.8
Exact mass
341.1043
XLogP
3.71
TPSA
99.08
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
97.58
Supplementary Information
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