이름: 3-amino-3-(4-methoxyphenyl)-2-methylacrylonitrile
SMILES:
COc1ccc(C(N)=C(C)C#N)cc1Molecular Processing
Molecular formula
C11H12N2O
Molecular weight
188.23
Exact mass
188.095
XLogP
1.91
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.182
Molar refractivity
55.39
Supplementary Information
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