Name: 3-(6-hydroxyhexoxycarbonyl)-7-diethylaminocoumarin
SMILES:
CCN(CC)c1ccc2cc(C(=O)OCCCCCCO)c(=O)oc2c1Molecular Processing
Molecular formula
C20H27NO5
Molecular weight
361.44
Exact mass
361.1889
XLogP
3.35
TPSA
79.98
H-bond donors
1
H-bond acceptors
6
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
0.5
Molar refractivity
101.88
Supplementary Information
Details werden geladen…
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