名称: 1-(2-chloro-4-pyridinyl)-3-(dimethylamino)prop-2-en-1-one
SMILES:
CN(C)C=CC(=O)C1=CC(=NC=C1)ClMolecular Processing
Molecular formula
C10H11ClN2O
Molecular weight
210.66
Exact mass
210.056
XLogP
1.99
TPSA
33.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.4
Supplementary Information
InChIKey: WKDCWLRNCQXYCU-UHFFFAOYSA-N
同義語
SCHEMBL2438076WKDCWLRNCQXYCU-UHFFFAOYSA-N3-dimethylamino-1-(2-chloro-4-pyridyl)-2-propen-1-one3-dimethylamino-1-(2-chloro4-pyridyl)-2-propen-1-one1-(2-chloropyridin-4-yl)-3-(dimethylamino)prop-2-en-1-one
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