SMILES:
CC1(C)c2cc(OC3CCNCC3)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21Molecular Processing
Molecular formula
C23H23BrN2O2
Molecular weight
439.35
Exact mass
438.0943
XLogP
4.93
TPSA
54.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
114.52
Supplementary Information
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