이름: 3-Bromo-6,6-dimethyl-8-[1-(2,2,2-trifluoro-acetyl)-piperidin-4-yloxy]-5,6-dihydro-benzo[b]carbazol-11-one
SMILES:
CC1(C)c2cc(OC3CCN(C(=O)C(F)(F)F)CC3)ccc2C(=O)c2c1[nH]c1cc(Br)ccc21Molecular Processing
Molecular formula
C25H22BrF3N2O3
Molecular weight
535.36
Exact mass
534.0766
XLogP
5.73
TPSA
62.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
124.29
Supplementary Information
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