O=c1oc2ccc(Cl)cc2c(=O)n1CCCCCCCCCCBr
SMILES: O=c1oc2ccc(Cl)cc2c(=O)n1CCCCCCCCCCBr

Molecular Processing

Molecular formula
C18H23BrClNO3
Molecular weight
416.74
Exact mass
415.055
XLogP
5.12
TPSA
52.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
102.48

Supplementary Information

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