COC1=CC(=CC=C1)S(=O)C2=CC=CC(=C2C#N)F
이름: 2-fluoro-6-(3-methoxyphenyl)sulfinylbenzonitrile
SMILES: COC1=CC(=CC=C1)S(=O)C2=CC=CC(=C2C#N)F

Molecular Processing

Molecular formula
C14H10FNO2S
Molecular weight
275.3
Exact mass
275.0416
XLogP
2.87
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
68.78

Supplementary Information

InChIKey: DMFWGTJSSWPMBM-UHFFFAOYSA-N
동의어
SCHEMBL8645345DMFWGTJSSWPMBM-UHFFFAOYSA-N2-Fluoro-6-[(3-methoxyphenyl)sulfinyl]benzonitrile
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