SMILES:
Clc1ncnc2c1c(I)cn2C1CCNCC1Molecular Processing
Molecular formula
C11H12ClIN4
Molecular weight
362.6
Exact mass
361.9795
XLogP
2.61
TPSA
42.74
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
76.4
Supplementary Information
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