SMILES:
CCCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1CMolecular Processing
Molecular formula
C20H17Cl3N6
Molecular weight
447.76
Exact mass
446.058
XLogP
5.87
TPSA
61.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
115.87
Supplementary Information
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