SMILES:
Cc1[nH]cnc1CSCCNC(=NC#N)NCCCNC(=NC#N)NCCSCc1nc[nH]c1CMolecular Processing
Molecular formula
C21H32N12S2
Molecular weight
516.71
Exact mass
516.2314
XLogP
1.34
TPSA
177.78
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
141.7
Supplementary Information
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