CC1(C)CCSc2c(Cl)cc(C=O)cc21
Name: 8-chloro-4,4-dimethyl-3,4-dihydro-2H-thiochromene-6-carbaldehyde
SMILES: CC1(C)CCSc2c(Cl)cc(C=O)cc21

Molecular Processing

Molecular formula
C12H13ClOS
Molecular weight
240.75
Exact mass
240.0376
XLogP
3.93
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
65.21

Supplementary Information

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