SMILES:
Clc1cc2c(OCc3ccccc3)nccc2cc1OC1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C24H24ClNO4
Molecular weight
425.91
Exact mass
425.1394
XLogP
5.53
TPSA
49.81
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
115.05
Supplementary Information
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