SMILES:
COc1ccc(N(C)c2nc(Cl)nc3ccc(OC)cc23)cc1Molecular Processing
Molecular formula
C17H16ClN3O2
Molecular weight
329.79
Exact mass
329.0931
XLogP
4.07
TPSA
47.48
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
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
0.176
Molar refractivity
92.16
Supplementary Information
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