Nombre: product
SMILES:
c1cc2c(s1)C1CCNCC1C2Molecular Processing
Molecular formula
C10H13NS
Molecular weight
179.29
Exact mass
179.0769
XLogP
2
TPSA
12.03
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
51.74
Supplementary Information
Obteniendo detalles…
Participa en 3 reacciones→