COC1=CC2=C(C=C1)OCCC2N3CCCCC3
名称: 1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)piperidine
SMILES: COC1=CC2=C(C=C1)OCCC2N3CCCCC3

Molecular Processing

Molecular formula
C15H21NO2
Molecular weight
247.34
Exact mass
247.1572
XLogP
3
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
71.27

Supplementary Information

InChIKey: HWEMQFUGONIPPA-UHFFFAOYSA-N
同義語
SCHEMBL10638010HWEMQFUGONIPPA-UHFFFAOYSA-N6-Methoxy-4-piperidino-2,3-dihydrobenzopyran
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