이름: (S)-7-[3-[[(2,3-Dihydro-6,7-methylenedioxy-1,4-benzodioxin-2-yl)methyl]amino]propoxy]-2H-1-benzopyran-2-one hydrochloride
SMILES:
Cl.O=c1ccc2ccc(OCCCNC[C@H]3COc4cc5c(cc4O3)OCO5)cc2o1Molecular Processing
Molecular formula
C22H22ClNO7
Molecular weight
447.87
Exact mass
447.1085
XLogP
3.14
TPSA
88.39
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
115.19
Supplementary Information
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