الاسم: 2-(4-fluoro-2-nitroanilino)butanoic acid
SMILES:
CCC(C(=O)O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]Molecular Processing
Molecular formula
C10H11FN2O4
Molecular weight
242.21
Exact mass
242.0703
XLogP
2.01
TPSA
92.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
58.39
Supplementary Information
InChIKey: YSDAMUPQEPBPQB-UHFFFAOYSA-N
مرادفات
SCHEMBL4869513YSDAMUPQEPBPQB-UHFFFAOYSA-NAKOS0058349062-(4-fluoro-2-nitrophenylamino)butanoic acid2-((4-fluoro-2-nitrophenyl)amino)butanoic acid
مشارك في 8 تفاعل→