SMILES:
COc1ccc2c(c1)CCC1CC(=O)N(c3ccccn3)N=C21Molecular Processing
Molecular formula
C18H17N3O2
Molecular weight
307.35
Exact mass
307.1321
XLogP
2.79
TPSA
54.79
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
87.68
Supplementary Information
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