COc1ccc(/C=C/c2nc3cc(C)ccc3n2-c2ccccn2)cc1.Cl
SMILES: COc1ccc(/C=C/c2nc3cc(C)ccc3n2-c2ccccn2)cc1.Cl

Molecular Processing

Molecular formula
C22H20ClN3O
Molecular weight
377.87
Exact mass
377.1295
XLogP
5.33
TPSA
39.94
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.091
Molar refractivity
112.77

Supplementary Information

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