이름: (E)-ethyl 3-(1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-yl)acrylate
SMILES:
CCOC(=O)/C=C/c1ccc2c(cnn2C2CCCCO2)c1Molecular Processing
Molecular formula
C17H20N2O3
Molecular weight
300.36
Exact mass
300.1474
XLogP
3.31
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
84.24
Supplementary Information
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