CC(C)(C)OC(=O)N1C=CC2=CC(=C(C=C21)F)C#CCCCO
الاسم: tert-butyl 6-fluoro-5-(5-hydroxypent-1-ynyl)indole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1C=CC2=CC(=C(C=C21)F)C#CCCCO

Molecular Processing

Molecular formula
C18H20FNO3
Molecular weight
317.36
Exact mass
317.1427
XLogP
3.69
TPSA
51.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
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
0.389
Molar refractivity
86.73

Supplementary Information

InChIKey: JWCZNSWOKMCSGS-UHFFFAOYSA-N
مرادفات
SCHEMBL5638030JWCZNSWOKMCSGS-UHFFFAOYSA-N6-Fluoro-5-(5-hydroxy-pent-1-ynyl)-indole-1-carboxylic acid tert-butyl ester
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