名称: product
SMILES:
Br.COCCn1c(-c2ccccc2)c(C)sc1=NMolecular Processing
Molecular formula
C13H17BrN2OS
Molecular weight
329.26
Exact mass
328.0245
XLogP
3.23
TPSA
38.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
80.53
Supplementary Information
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