이름: product
SMILES:
CC(C)(C)NCC(O)COc1ccccc1C(=O)Nc1cccc2[nH]cc(Cl)c12Molecular Processing
Molecular formula
C22H26ClN3O3
Molecular weight
415.92
Exact mass
415.1663
XLogP
4.2
TPSA
86.38
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
116.96
Supplementary Information
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