SMILES:
COc1cc(-c2nc(Cl)nnc2C)ccc1OCc1ccccc1Molecular Processing
Molecular formula
C18H16ClN3O2
Molecular weight
341.8
Exact mass
341.0931
XLogP
4.09
TPSA
57.13
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
92.34
Supplementary Information
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