C1C(N=C(S1)C2=CC3=CC=CC=C3N2)C(=O)O
CAS: 1366001-32-2
名称: 2-(1H-indol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILES: C1C(N=C(S1)C2=CC3=CC=CC=C3N2)C(=O)O

Molecular Processing

Molecular formula
C12H10N2O2S
Molecular weight
246.29
Exact mass
246.0463
XLogP
2.11
TPSA
65.45
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
68.72

Supplementary Information

InChIKey: QNKPCTRXSWQTFU-UHFFFAOYSA-N
同義語
2-(1H-indol-2-yl)-4,5-dihydrothiazole-4-carboxylic acidSCHEMBL724196SCHEMBL31022772QNKPCTRXSWQTFU-UHFFFAOYSA-NDB-1331081366001-32-2
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