SMILES:
Cl.N=C(NCCCCc1ccc(O)cc1)NC(=O)c1nc(Cl)c(N)nc1NMolecular Processing
Molecular formula
C16H21Cl2N7O2
Molecular weight
414.3
Exact mass
413.1134
XLogP
1.7
TPSA
163.03
H-bond donors
6
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
107.36
Supplementary Information
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