SMILES:
CNC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2CC1CMolecular Processing
Molecular formula
C18H17BrN4O3
Molecular weight
417.26
Exact mass
416.0484
XLogP
3.7
TPSA
87.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
102.34
Supplementary Information
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