SMILES:
CCCN1CCCC2Cc3nc(Br)sc3CC21Molecular Processing
Molecular formula
C13H19BrN2S
Molecular weight
315.28
Exact mass
314.0452
XLogP
3.49
TPSA
16.13
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
75.6
Supplementary Information
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