SMILES:
CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(Br)c1Molecular Processing
Molecular formula
C18H18BrNO2
Molecular weight
360.25
Exact mass
359.0521
XLogP
4.88
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
91.39
Supplementary Information
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