SMILES:
CC(=O)OCCN1CCN(CC#CC2=Cc3ccccc3Sc3ccc(Cl)cc32)CC1Molecular Processing
Molecular formula
C25H25ClN2O2S
Molecular weight
453.01
Exact mass
452.1325
XLogP
4.53
TPSA
32.78
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
127.18
Supplementary Information
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