이름: (E)-3-(3-amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-prop-2-enenitrile
SMILES:
COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1NMolecular Processing
Molecular formula
C19H20N2O4
Molecular weight
340.38
Exact mass
340.1423
XLogP
3.37
TPSA
86.73
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
96.99
Supplementary Information
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