Название: 3-chloro-4-(6-methoxyquinolin-2-yl)benzoic acid
SMILES:
COC1=CC2=C(C=C1)N=C(C=C2)C3=C(C=C(C=C3)C(=O)O)ClMolecular Processing
Molecular formula
C17H12ClNO3
Molecular weight
313.74
Exact mass
313.0506
XLogP
4.26
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
85.7
Supplementary Information
InChIKey: PVOWBMUBLVXXQF-UHFFFAOYSA-N
Синонимы
SCHEMBL1289587PVOWBMUBLVXXQF-UHFFFAOYSA-N3-chloro-4-(6-methoxyquinolin-2-yl)benzoic acid
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