Name: compound
SMILES:
C=CCNC(=O)NNC(=O)c1ccc(Cl)cc1BrMolecular Processing
Molecular formula
C11H11BrClN3O2
Molecular weight
332.58
Exact mass
330.9723
XLogP
2.23
TPSA
70.23
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
73.35
Supplementary Information
Details werden geladen…
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