이름: isothiourea trihydrochloride
SMILES:
Cc1nc[nH]c1CSCCN=C(N)N(O)CCSCc1[nH]cnc1C.Cl.Cl.ClMolecular Processing
Molecular formula
C15H28Cl3N7OS2
Molecular weight
492.93
Exact mass
491.0862
XLogP
3.19
TPSA
119.21
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
4
Fraction Csp3
0.533
Molar refractivity
125.7
Supplementary Information
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