SMILES:
N#Cc1c(-c2ccc(N)cc2)n(C2CC2)c2cc(O)ccc12Molecular Processing
Molecular formula
C18H15N3O
Molecular weight
289.34
Exact mass
289.1215
XLogP
3.8
TPSA
74.97
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
86.44
Supplementary Information
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