이름: product
SMILES:
CC(NO)c1ccc2c(c1)Sc1cc(Cl)ccc1O2Molecular Processing
Molecular formula
C14H12ClNO2S
Molecular weight
293.78
Exact mass
293.0277
XLogP
4.64
TPSA
41.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
75.43
Supplementary Information
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