SMILES:
S=C1Nc2cc(Cl)ccc2Nc2ccccc21Molecular Processing
Molecular formula
C13H9ClN2S
Molecular weight
260.75
Exact mass
260.0175
XLogP
4.18
TPSA
24.06
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
76.5
Supplementary Information
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