SMILES:
CC1(C)c2cc(O)c(Br)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21Molecular Processing
Molecular formula
C19H13BrN2O2
Molecular weight
381.23
Exact mass
380.016
XLogP
4.38
TPSA
76.88
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
94.38
Supplementary Information
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