Name: Methyl 4-(2-aminoethylsulfanyl)benzoate hydrochloride
SMILES:
COC(=O)c1ccc(SCCN)cc1.ClMolecular Processing
Molecular formula
C10H14ClNO2S
Molecular weight
247.75
Exact mass
247.0434
XLogP
1.95
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
64.81
Supplementary Information
Details werden geladen…
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