SMILES:
Cl.Cl.O=c1c(-c2cccnc2)c[nH]n1-c1cc(N2CCC(N3CCCC3)CC2)ncn1Molecular Processing
Molecular formula
C21H27Cl2N7O
Molecular weight
464.4
Exact mass
463.1654
XLogP
2.93
TPSA
82.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.429
Molar refractivity
125.75
Supplementary Information
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