SMILES:
N#Cc1nc(-c2ccc(OCCN3CCCCC3)cc2)cs1Molecular Processing
Molecular formula
C17H19N3OS
Molecular weight
313.43
Exact mass
313.1249
XLogP
3.55
TPSA
49.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
88.05
Supplementary Information
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