SMILES:
O=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1Molecular Processing
Molecular formula
C9H11ClN4O2
Molecular weight
242.67
Exact mass
242.0571
XLogP
2.39
TPSA
80.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
59.58
Supplementary Information
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