名称: 1-(6-bromo-3-methoxy-2-pyridyl)-1,4-diazepan-6-ol
SMILES:
COc1ccc(Br)nc1N1CCNCC(O)C1Molecular Processing
Molecular formula
C11H16BrN3O2
Molecular weight
302.17
Exact mass
301.0426
XLogP
0.62
TPSA
57.62
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
69.58
Supplementary Information
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