SMILES:
Cc1ccc(CNc2ccc3c(N)cccc3n2)o1Molecular Processing
Molecular formula
C15H15N3O
Molecular weight
253.31
Exact mass
253.1215
XLogP
3.33
TPSA
64.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
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
0.133
Molar refractivity
76.93
Supplementary Information
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