이름: 13-amino-6,7,8,9,10,11-hexahydro-3-hydroxy-5-methyl-5,11-methanobenzocyclodecen-12(5H)-one hydrochloride dihydrate
SMILES:
CC12CCCCCC(C(=O)c3ccc(O)cc31)C2N.Cl.O.OMolecular Processing
Molecular formula
C16H26ClNO4
Molecular weight
331.84
Exact mass
331.155
XLogP
1.53
TPSA
126.32
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
4
Fraction Csp3
0.562
Molar refractivity
88.82
Supplementary Information
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