Name: 2-(9-amino-7-bromo-4-fluoro-2-methoxy-9H-xanthen-9-yl)ethanol
SMILES:
COc1cc(F)c2c(c1)C(N)(CCO)c1cc(Br)ccc1O2Molecular Processing
Molecular formula
C16H15BrFNO3
Molecular weight
368.2
Exact mass
367.0219
XLogP
3.29
TPSA
64.71
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
83.84
Supplementary Information
Details werden geladen…
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