名称: 7-(2-carboxyvinyl)-4-(4-chloro-2-fluorophenoxy)-6-methoxyquinazoline
SMILES:
COc1cc2c(Oc3ccc(Cl)cc3F)ncnc2cc1C=CC(=O)OMolecular Processing
Molecular formula
C18H12ClFN2O4
Molecular weight
374.76
Exact mass
374.047
XLogP
4.32
TPSA
81.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
94.24
Supplementary Information
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