이름: (1-benzyloxycarbonylpiperidin-4-yl)isocyanate
SMILES:
O=C=NC1CCN(C(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C14H16N2O3
Molecular weight
260.29
Exact mass
260.1161
XLogP
2.12
TPSA
58.97
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.34
Supplementary Information
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