名称: hydrogen chloride
SMILES:
COc1cc(C(=O)Cl)ccc1OCCCCCOc1ccc(C#N)cc1Molecular Processing
Molecular formula
C20H20ClNO4
Molecular weight
373.84
Exact mass
373.1081
XLogP
4.57
TPSA
68.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
99.18
Supplementary Information
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