Name: 4-[(2,2-dichlorocyclopropyl)methyl]thio-o-phenylenediamine
SMILES:
Nc1ccc(SCC2CC2(Cl)Cl)cc1NMolecular Processing
Molecular formula
C10H12Cl2N2S
Molecular weight
263.19
Exact mass
262.0098
XLogP
3.14
TPSA
52.04
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
68.53
Supplementary Information
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