Cc1ccc(Oc2ccc(C(=O)CNC(C)C)cc2O)cc1
名称: 1-[3-hydroxy-4-(4-methylphenoxy)phenyl]-2-(propan-2-ylamino)ethanone
SMILES: Cc1ccc(Oc2ccc(C(=O)CNC(C)C)cc2O)cc1

Molecular Processing

Molecular formula
C18H21NO3
Molecular weight
299.37
Exact mass
299.1521
XLogP
3.67
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
86.83

Supplementary Information

InChIKey: AGZLAJUKXCITSQ-UHFFFAOYSA-N
同義語
SCHEMBL11288054AGZLAJUKXCITSQ-UHFFFAOYSA-N3-hydroxy-4-(p-toluyloxy)phenyl isopropylaminomethyl ketone
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