Name: 4-propyl-1-benzenecarbonyl isothiocyanate
SMILES:
CCCc1ccc(C(=O)N=C=S)cc1Molecular Processing
Molecular formula
C11H11NOS
Molecular weight
205.28
Exact mass
205.0561
XLogP
2.88
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
59.79
Supplementary Information
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