Name: 7-chloro-1-(2-furyl)-1-methoxy-3-heptyne
SMILES:
COC(CC#CCCCCl)c1ccco1Molecular Processing
Molecular formula
C12H15ClO2
Molecular weight
226.7
Exact mass
226.0761
XLogP
3.38
TPSA
22.37
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.81
Supplementary Information
Details werden geladen…
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