이름: 3-[3-(2-indanyloxy)-4-methoxyanilino]-2-methyl-2-cyclopenten-1-one
SMILES:
COc1ccc(NC2=C(C)C(=O)CC2)cc1OC1Cc2ccccc2C1Molecular Processing
Molecular formula
C22H23NO3
Molecular weight
349.43
Exact mass
349.1678
XLogP
4.29
TPSA
47.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
101.82
Supplementary Information
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