SMILES:
N#CC(=C1SCC(c2ccccc2O)S1)n1ccnc1Molecular Processing
Molecular formula
C14H11N3OS2
Molecular weight
301.4
Exact mass
301.0344
XLogP
3.46
TPSA
61.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
81.95
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→