Name: compound 6b
SMILES:
CC(=O)c1c2c(cc3ccc(Cl)cc13)CCC2Molecular Processing
Molecular formula
C15H13ClO
Molecular weight
244.72
Exact mass
244.0655
XLogP
4.18
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
70.99
Supplementary Information
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