이름: 4-(2-Pyrrolidin-1-ylethoxy)phenyl isothiocyanate
SMILES:
S=C=Nc1ccc(OCCN2CCCC2)cc1Molecular Processing
Molecular formula
C13H16N2OS
Molecular weight
248.35
Exact mass
248.0983
XLogP
2.9
TPSA
24.83
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
72.3
Supplementary Information
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