SMILES:
CN1CCN(c2ccnc(-c3ccc(C#N)s3)c2)CC1Molecular Processing
Molecular formula
C15H16N4S
Molecular weight
284.39
Exact mass
284.1096
XLogP
2.43
TPSA
43.16
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
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
0.333
Molar refractivity
81.98
Supplementary Information
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