Name: 4-Chlorobutanoyl isothiocyanate
SMILES:
O=C(CCCCl)N=C=SMolecular Processing
Molecular formula
C5H6ClNOS
Molecular weight
163.63
Exact mass
162.9859
XLogP
1.63
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
39.99
Supplementary Information
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