SMILES:
NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(Br)c1Molecular Processing
Molecular formula
C18H22BrNO2
Molecular weight
364.28
Exact mass
363.0834
XLogP
4.14
TPSA
52.32
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
88.76
Supplementary Information
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