SMILES:
CC(CN(C)C)n1c(-c2ccc(Br)cc2)cc2c1CCSC2.ClMolecular Processing
Molecular formula
C18H24BrClN2S
Molecular weight
415.83
Exact mass
414.0532
XLogP
5.25
TPSA
8.17
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
107.95
Supplementary Information
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