SMILES:
N#Cc1ccc(C2(O)CCn3cncc32)cc1Molecular Processing
Molecular formula
C13H11N3O
Molecular weight
225.25
Exact mass
225.0902
XLogP
1.39
TPSA
61.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
61
Supplementary Information
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