SMILES:
COc1ccc(-n2nc(CCC(=O)O)c(Br)c2-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C19H16BrClN2O3
Molecular weight
435.71
Exact mass
434.0033
XLogP
4.98
TPSA
64.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
104.22
Supplementary Information
Details werden geladen…
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