이름: 13-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecen-3,12-diol
SMILES:
CC12CCCCCC(C(O)c3ccc(O)cc31)C2NMolecular Processing
Molecular formula
C16H23NO2
Molecular weight
261.37
Exact mass
261.1729
XLogP
2.6
TPSA
66.48
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
74.97
Supplementary Information
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