Nc1nc(N)c(C(=O)N=C2NCC3(CC4CCC(C3)N4)N2)nc1Cl
SMILES: Nc1nc(N)c(C(=O)N=C2NCC3(CC4CCC(C3)N4)N2)nc1Cl

Molecular Processing

Molecular formula
C14H19ClN8O
Molecular weight
350.81
Exact mass
350.137
XLogP
-0.36
TPSA
143.34
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
90.68

Supplementary Information

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