SMILES:
COc1cc2c(cc1Br)C(c1cccc(C#N)c1)=NCC(=O)N2CMolecular Processing
Molecular formula
C18H14BrN3O2
Molecular weight
384.23
Exact mass
383.0269
XLogP
3.14
TPSA
65.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
95.77
Supplementary Information
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