CCC#Cc1cc(Cl)ncc1NC(=O)OC(C)(C)C
名称: tert-butyl 4-(but-1-ynyl)-6-chloropyridin-3-ylcarbamate
SMILES: CCC#Cc1cc(Cl)ncc1NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C14H17ClN2O2
Molecular weight
280.75
Exact mass
280.0979
XLogP
3.84
TPSA
51.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.27

Supplementary Information

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