SMILES:
CCn1c(-c2cccc3ccccc23)nc(Cl)c1C(=O)OMolecular Processing
Molecular formula
C16H13ClN2O2
Molecular weight
300.75
Exact mass
300.0666
XLogP
4.07
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
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
0.125
Molar refractivity
82.81
Supplementary Information
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