SMILES:
OCCc1cccc(Nc2nc(Nc3cccc(O)c3)ncc2Cl)c1Molecular Processing
Molecular formula
C18H17ClN4O2
Molecular weight
356.81
Exact mass
356.104
XLogP
3.86
TPSA
90.3
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
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
0.111
Molar refractivity
98.95
Supplementary Information
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