C1=CC(=C(C=C1I)F)NC2=C(C=C(C(=C2F)F)C=O)C(=O)O
الاسم: 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-formylbenzoic acid
SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=C(C(=C2F)F)C=O)C(=O)O

Molecular Processing

Molecular formula
C14H7F3INO3
Molecular weight
421.11
Exact mass
420.9423
XLogP
3.96
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
81.1

Supplementary Information

InChIKey: JRFBYXKOIRJZJE-UHFFFAOYSA-N
مرادفات
SCHEMBL1562380SCHEMBL29425373JRFBYXKOIRJZJE-UHFFFAOYSA-N3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-5-formyl-benzoic acid
عرض المصدر →
مشارك في 3 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→