C1=CC2=CN=C(C=C2C=C1C(=O)O)F
CAS: 1104071-70-6
名称: 3-fluoroisoquinoline-6-carboxylic acid
SMILES: C1=CC2=CN=C(C=C2C=C1C(=O)O)F

Molecular Processing

Molecular formula
C10H6FNO2
Molecular weight
191.16
Exact mass
191.0383
XLogP
2.07
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.66

Supplementary Information

InChIKey: NECKTAACOVWGGE-UHFFFAOYSA-N
同義語
3-fluoroisoquinoline-6-carboxylic acid1104071-70-6SCHEMBL1595210NECKTAACOVWGGE-UHFFFAOYSA-N3-fluoroisoquinoline-6-carboxylicacidDB-218076
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