SMILES:
Cc1c(I)ccc(N=C2NCC3(CCCC3)S2)c1CMolecular Processing
Molecular formula
C15H19IN2S
Molecular weight
386.3
Exact mass
386.0314
XLogP
4.54
TPSA
24.39
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
92.52
Supplementary Information
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