SMILES:
NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4CCCO4)c23)C1Molecular Processing
Molecular formula
C17H22BrN5O2
Molecular weight
408.3
Exact mass
407.0957
XLogP
2.37
TPSA
96.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
100.82
Supplementary Information
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