SMILES:
Cl.N#Cc1cccnc1-n1c(C=Cc2ccccc2)nc2ccccc21Molecular Processing
Molecular formula
C21H15ClN4
Molecular weight
358.83
Exact mass
358.0985
XLogP
4.88
TPSA
54.5
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0
Molar refractivity
106.2
Supplementary Information
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