O=C(O)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
이름: 2-(4-chlorophenyl)quinazoline-4-carboxylic acid
SMILES: O=C(O)c1nc(-c2ccc(Cl)cc2)nc2ccccc12

Molecular Processing

Molecular formula
C15H9ClN2O2
Molecular weight
284.7
Exact mass
284.0353
XLogP
3.65
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
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
Molar refractivity
76.94

Supplementary Information

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