SMILES:
COc1cccnc1C1(O)C(=O)Nc2ccc(Cl)cc21Molecular Processing
Molecular formula
C14H11ClN2O3
Molecular weight
290.71
Exact mass
290.0458
XLogP
1.93
TPSA
71.45
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
73.87
Supplementary Information
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