이름: α-cyanocinnamic acid
SMILES:
N#CC(=Cc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C10H7NO2
Molecular weight
173.17
Exact mass
173.0477
XLogP
1.68
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.67
Supplementary Information
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