C1=CC(=C(C=C1Cl)OC2=NC=NC=C2C(=O)O)Cl
이름: 4-(2,5-dichlorophenoxy)pyrimidine-5-carboxylic acid
SMILES: C1=CC(=C(C=C1Cl)OC2=NC=NC=C2C(=O)O)Cl

Molecular Processing

Molecular formula
C11H6Cl2N2O3
Molecular weight
285.09
Exact mass
283.9755
XLogP
3.27
TPSA
72.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
65.53

Supplementary Information

InChIKey: GSPVXISBOXFRIV-UHFFFAOYSA-N
동의어
SCHEMBL2216478GSPVXISBOXFRIV-UHFFFAOYSA-N4-(2,5-dichloro-phenoxy)-pyrimidine-5-carboxylic acid
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