名称: 1-[6-(3-bromopropoxy)-3,4-dihydro-2H-chromen-4-yl]piperidine
SMILES:
C1CCN(CC1)C2CCOC3=C2C=C(C=C3)OCCCBrMolecular Processing
Molecular formula
C17H24BrNO2
Molecular weight
354.29
Exact mass
353.099
XLogP
4.16
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
88.63
Supplementary Information
InChIKey: HVQLIMGSHJXKFU-UHFFFAOYSA-N
同義語
SCHEMBL10641113HVQLIMGSHJXKFU-UHFFFAOYSA-N6-(3-Bromopropoxy )-4-piperidino-2,3-dihydrobenzopyran6-(3-Bromopropoxy)-4-piperidino-2,3-dihydrobenzopyran
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