C1CC1NC2=CC(=C(C=C2C(=O)O)F)F
Name: 2-(cyclopropylamino)-4,5-difluorobenzoic acid
SMILES: C1CC1NC2=CC(=C(C=C2C(=O)O)F)F

Molecular Processing

Molecular formula
C10H9F2NO2
Molecular weight
213.18
Exact mass
213.0601
XLogP
2.24
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
49.96

Supplementary Information

InChIKey: JZKIUAPWPWPRQJ-UHFFFAOYSA-N
Synonyme
SCHEMBL4511114JZKIUAPWPWPRQJ-UHFFFAOYSA-N2-Cyclopropylamino-4,5-difluorobenzoic acid2-(cyclopropylamino)-4,5-difluorobenzoic acid
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