이름: phthalimidoethanethiol
SMILES:
CC(S)N1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C10H9NO2S
Molecular weight
207.25
Exact mass
207.0354
XLogP
1.56
TPSA
37.38
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
55.39
Supplementary Information
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