CC(C)C(C1=CC2=C(S1)C=CC(=C2)Cl)C(=O)O
이름: 2-(5-chloro-1-benzothiophen-2-yl)-3-methylbutanoic acid
SMILES: CC(C)C(C1=CC2=C(S1)C=CC(=C2)Cl)C(=O)O

Molecular Processing

Molecular formula
C13H13ClO2S
Molecular weight
268.76
Exact mass
268.0325
XLogP
4.38
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
72.05

Supplementary Information

InChIKey: PRQWBBLPWRPLDE-UHFFFAOYSA-N
동의어
SCHEMBL11491998PRQWBBLPWRPLDE-UHFFFAOYSA-N2-(5-chloro-2-benzothienyl)-3-methylbutanoic acid
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