SMILES:
Ic1ccc2c(cnn2C2CCCC2)c1Molecular Processing
Molecular formula
C12H13IN2
Molecular weight
312.15
Exact mass
312.0123
XLogP
3.76
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.96
Supplementary Information
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