이름: 4-methoxy-7-{(1S,4S)-(2-oxa-5-aza-bicyclo[2.2.1]hept-5-yl)}-benzothiazol-2-ylamine
SMILES:
COc1ccc(N2C[C@@H]3C[C@H]2CO3)c2sc(N)nc12Molecular Processing
Molecular formula
C13H15N3O2S
Molecular weight
277.35
Exact mass
277.0885
XLogP
1.86
TPSA
60.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
76.08
Supplementary Information
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