Название: 5-hydroxy-5-diethylaminopropyl-9-methyl-6,7,8,9-tetrahydro-5H-benzocycloheptene
SMILES:
CCN(CC)CCCC1(O)CCCC(C)c2ccccc21Molecular Processing
Molecular formula
C19H31NO
Molecular weight
289.46
Exact mass
289.2406
XLogP
4.28
TPSA
23.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
89.63
Supplementary Information
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