AI38963
17086-28-1 | Doxycycline hydrate
Manufacturer: A2B Chem
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CatalogNumber
AI38963
ChemicalName
Doxycycline hydrate
CasNumber
17086-28-1
MolecularFormula
C22H26N2O9
MolecularWeight
462.4498
MdlNumber
MFCD00800994
Smiles
CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C.O
Complexity
956
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
6
HeavyAtomCount
33
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
7
RotatableBondCount
2
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CatalogNumber: AI38963
ChemicalName: Doxycycline hydrate
CasNumber: 17086-28-1
MolecularFormula: C22H26N2O9
MolecularWeight: 462.4498
MdlNumber: MFCD00800994
Smiles: CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C.O
Complexity: 956
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 6
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 7
RotatableBondCount: 2
CatalogNumber:
AI38963
ChemicalName:
Doxycycline hydrate
CasNumber:
17086-28-1
MolecularFormula:
C22H26N2O9
MolecularWeight:
462.4498
MdlNumber:
MFCD00800994
Smiles:
CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C.O
Complexity:
956
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
6
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
7
RotatableBondCount:
2
CatalogNumber: __
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Smiles: Cc1cc(cc(c1)C(=O)O)c1ccc(cc1)C
Complexity: __
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Smiles:
Cc1cc(cc(c1)C(=O)O)c1ccc(cc1)C
Complexity:
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Smiles: COc1ccc(cc1)c1csc(n1)CCl
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Smiles:
COc1ccc(cc1)c1csc(n1)CCl
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HydrogenBondDonorCount:
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Smiles: CC1=C(C=C(C=C1)C(=O)[O-])Cl.[Na+]
Complexity: __
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CatalogNumber:
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MolecularFormula:
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Smiles:
CC1=C(C=C(C=C1)C(=O)[O-])Cl.[Na+]
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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