이름: methyl (2E)-3-(2-aminophenyl)prop-2-enoate
SMILES:
COC(=O)/C=C/c1ccccc1NMolecular Processing
Molecular formula
C10H11NO2
Molecular weight
177.2
Exact mass
177.079
XLogP
1.45
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
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
0.1
Molar refractivity
51.9
Supplementary Information
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