Name: 3-methoxybenzoyl isothiocyanate
SMILES:
COc1cccc(C(=O)N=C=S)c1Molecular Processing
Molecular formula
C9H7NO2S
Molecular weight
193.23
Exact mass
193.0197
XLogP
1.94
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.35
Supplementary Information
Details werden geladen…
An 7 Reaktionen beteiligt→