SMILES:
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Molecular Processing
Molecular formula
C22H21ClN6O
Molecular weight
420.9
Exact mass
420.1465
XLogP
4.59
TPSA
89.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
115.39
Supplementary Information
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