N#CCC(=O)NCc1ccccc1Cl
Name: N-o-chlorobenzyl-2-cyanoacetamide
SMILES: N#CCC(=O)NCc1ccccc1Cl

Molecular Processing

Molecular formula
C10H9ClN2O
Molecular weight
208.65
Exact mass
208.0403
XLogP
1.87
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
53.53

Supplementary Information

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