SMILES:
CC(C)(C)NC(=O)c1cccc(Br)n1Molecular Processing
Molecular formula
C10H13BrN2O
Molecular weight
257.13
Exact mass
256.0211
XLogP
2.37
TPSA
41.99
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
59.16
Supplementary Information
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