Cc1cc(CCl)ccc1Sc1ccccc1
Name: 1-chloromethyl-3-methyl-4-phenylthiobenzene
SMILES: Cc1cc(CCl)ccc1Sc1ccccc1

Molecular Processing

Molecular formula
C14H13ClS
Molecular weight
248.78
Exact mass
248.0426
XLogP
4.89
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
71.3

Supplementary Information

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