AB63944
1041-01-6 | 3,5-Diiodo-L-thyronine
Manufacturer: A2B Chem
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CatalogNumber
AB63944
ChemicalName
3,5-Diiodo-L-thyronine
CasNumber
1041-01-6
MolecularFormula
C15H13I2NO4
MolecularWeight
525.07696
MdlNumber
MFCD00064987
Smiles
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O)N
Complexity
365
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
1.1
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CatalogNumber: AB63944
ChemicalName: 3,5-Diiodo-L-thyronine
CasNumber: 1041-01-6
MolecularFormula: C15H13I2NO4
MolecularWeight: 525.07696
MdlNumber: MFCD00064987
Smiles: OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O)N
Complexity: 365
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 1.1
CatalogNumber:
AB63944
ChemicalName:
3,5-Diiodo-L-thyronine
CasNumber:
1041-01-6
MolecularFormula:
C15H13I2NO4
MolecularWeight:
525.07696
MdlNumber:
MFCD00064987
Smiles:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O)N
Complexity:
365
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
1.1
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Smiles: Ic1cc(I)c(c(c1)C(=O)[O-])O.[K+]
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Ic1cc(I)c(c(c1)C(=O)[O-])O.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cc(O)c(c(c1)C(C)C)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cc(O)c(c(c1)C(C)C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cc(C(C)C)c(c(c1)C(=O)O)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cc(C(C)C)c(c(c1)C(=O)O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__