COC1=C(C=C(C(=C1N)F)C2=CC=CC=C2)C(=O)OC
Nom: methyl 3-amino-4-fluoro-2-methoxy-5-phenylbenzoate
SMILES: COC1=C(C=C(C(=C1N)F)C2=CC=CC=C2)C(=O)OC

Molecular Processing

Molecular formula
C15H14FNO3
Molecular weight
275.28
Exact mass
275.0958
XLogP
2.87
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
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
0.133
Molar refractivity
74.14

Supplementary Information

InChIKey: OQQSJHXRMZQRJW-UHFFFAOYSA-N
Synonymes
SCHEMBL3298185OQQSJHXRMZQRJW-UHFFFAOYSA-NMethyl 5-amino-6-fluoro-4-methoxybiphenyl-3-carboxylate
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→