Название: 1D
SMILES:
CC(CO)(CO)NCc1ccc2c3c(cccc13)-c1ccccc1-2.ClMolecular Processing
Molecular formula
C21H22ClNO2
Molecular weight
355.87
Exact mass
355.1339
XLogP
3.74
TPSA
52.49
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.238
Molar refractivity
105.04
Supplementary Information
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