SMILES:
Cn1c(-c2cncc(CNCCN3CCCC3)c2)c(C#N)c2ccc(Cl)cc21Molecular Processing
Molecular formula
C22H24ClN5
Molecular weight
393.92
Exact mass
393.172
XLogP
3.95
TPSA
56.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
113.26
Supplementary Information
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