SMILES:
CC1CCN(Cc2cc3cc(C#Cc4ccc(-c5ccc(Cl)cc5)cn4)ccc3o2)CC1Molecular Processing
Molecular formula
C28H25ClN2O
Molecular weight
440.97
Exact mass
440.1655
XLogP
6.78
TPSA
29.27
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
130.55
Supplementary Information
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