SMILES:
Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1C1CC1Molecular Processing
Molecular formula
C15H14ClN3
Molecular weight
271.75
Exact mass
271.0876
XLogP
3.28
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
75.2
Supplementary Information
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