Название: pentyl isocyanate
SMILES:
CCCCCN=C=OMolecular Processing
Molecular formula
C6H11NO
Molecular weight
113.16
Exact mass
113.0841
XLogP
1.51
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
32.51
Supplementary Information
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