Nombre: product
SMILES:
CN1C(=O)N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(CO)O4)nc21Molecular Processing
Molecular formula
C22H20BrN5O4
Molecular weight
498.34
Exact mass
497.0699
XLogP
3.69
TPSA
100.05
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
122.88
Supplementary Information
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