SMILES:
N=C(N)NCCCSc1ncco1Molecular Processing
Molecular formula
C7H12N4OS
Molecular weight
200.27
Exact mass
200.0732
XLogP
0.64
TPSA
87.93
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
51.76
Supplementary Information
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