Name: 5-chloro-benzothiazole-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1nc2cc(Cl)ccc2s1Molecular Processing
Molecular formula
C10H8ClNO2S
Molecular weight
241.7
Exact mass
240.9964
XLogP
3.13
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
60.59
Supplementary Information
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