CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
Name: tetracycline base
SMILES: CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12

Molecular Processing

Molecular formula
C22H24N2O8
Molecular weight
444.44
Exact mass
444.1533
XLogP
-0.37
TPSA
181.62
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
110.11

Supplementary Information

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