SMILES:
CCC1CCCCN1N(C(C)=O)c1nc2cc3nc(N)sc3cc2s1Molecular Processing
Molecular formula
C17H21N5OS2
Molecular weight
375.52
Exact mass
375.1188
XLogP
4.02
TPSA
75.35
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
105.01
Supplementary Information
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