SMILES:
CC1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1Molecular Processing
Molecular formula
C15H14F2N4S
Molecular weight
320.37
Exact mass
320.0907
XLogP
3.09
TPSA
64.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
83.43
Supplementary Information
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