SMILES:
Cc1ccccc1COc1cccnc1NC(=N)Cc1ccccc1Molecular Processing
Molecular formula
C21H21N3O
Molecular weight
331.42
Exact mass
331.1685
XLogP
4.6
TPSA
58
H-bond donors
2
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
101.24
Supplementary Information
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