Name: 2-acetylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid
SMILES:
CC(=O)Nc1nc2c(s1)CC(C(=O)O)CC2Molecular Processing
Molecular formula
C10H12N2O3S
Molecular weight
240.28
Exact mass
240.0569
XLogP
1.29
TPSA
79.29
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
59.57
Supplementary Information
Details werden geladen…
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