이름: compound 16
SMILES:
COc1ccc(CCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1Molecular Processing
Molecular formula
C25H35N3O3
Molecular weight
425.57
Exact mass
425.2678
XLogP
2.86
TPSA
65.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
124.75
Supplementary Information
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