이름: 6-isothiocyanato-2,3-dihydrobenzo[1,4]dioxine
SMILES:
S=C=Nc1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C9H7NO2S
Molecular weight
193.23
Exact mass
193.0197
XLogP
2.19
TPSA
30.82
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
52.12
Supplementary Information
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