Название: 11-Methyl-3-methylthio-11H-s-triazolo[3,4-b][3]benzazepine
SMILES:
CSc1nnc2n1C=Cc1ccccc1C2CMolecular Processing
Molecular formula
C13H13N3S
Molecular weight
243.34
Exact mass
243.083
XLogP
3.09
TPSA
30.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
70.99
Supplementary Information
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