Name: 6-demethyl-6-deoxytetracycline
SMILES:
CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4CC3CC12Molecular Processing
Molecular formula
C21H22N2O7
Molecular weight
414.41
Exact mass
414.1427
XLogP
-0.04
TPSA
161.39
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
104.24
Supplementary Information
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