SMILES:
N#Cc1ccc(NCCNc2ccc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1Molecular Processing
Molecular formula
C22H17Cl2N7
Molecular weight
450.33
Exact mass
449.0922
XLogP
5.24
TPSA
102.31
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
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
0.091
Molar refractivity
123.21
Supplementary Information
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