SMILES:
N#CCC1CN(Cc2ccccc2)CC1c1cc(Br)cs1Molecular Processing
Molecular formula
C17H17BrN2S
Molecular weight
361.31
Exact mass
360.0296
XLogP
4.64
TPSA
27.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
90.2
Supplementary Information
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