SMILES:
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(C=C(Br)Br)c1Molecular Processing
Molecular formula
C18H15Br2Cl2NO2
Molecular weight
508.04
Exact mass
504.8847
XLogP
6.47
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
107.27
Supplementary Information
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