Название: intermediate 10
SMILES:
CCOP(=O)(OCC)C(Br)c1ccc(CN)cc1Molecular Processing
Molecular formula
C12H19BrNO3P
Molecular weight
336.17
Exact mass
335.0286
XLogP
3.8
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.86
Supplementary Information
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