SMILES:
O=c1c(-c2ccc(Cl)cc2)c2c(cn1CO)Sc1ccc(Br)cc1N2Molecular Processing
Molecular formula
C18H12BrClN2O2S
Molecular weight
435.73
Exact mass
433.9491
XLogP
5.09
TPSA
54.26
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
104.91
Supplementary Information
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