SMILES:
COC=C(C#N)Oc1cc(Br)c(OC)cc1C(C)CMolecular Processing
Molecular formula
C14H16BrNO3
Molecular weight
326.19
Exact mass
325.0314
XLogP
3.97
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
76.12
Supplementary Information
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