SMILES:
Clc1ccc2c(C3=CCN(CCCCOc4cccc5[nH]ccc45)CC3)c[nH]c2c1Molecular Processing
Molecular formula
C25H26ClN3O
Molecular weight
419.96
Exact mass
419.1764
XLogP
6.25
TPSA
44.05
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
125.37
Supplementary Information
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