AG28394
548-76-5 | Irigenin
Manufacturer: A2B Chem
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CatalogNumber
AG28394
ChemicalName
Irigenin
CasNumber
548-76-5
MolecularFormula
C18H16O8
MolecularWeight
360.3148
MdlNumber
MFCD00597047
Smiles
COc1cc(cc(c1OC)O)c1coc2c(c1=O)c(O)c(c(c2)O)OC
Complexity
549
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AG28394
ChemicalName: Irigenin
CasNumber: 548-76-5
MolecularFormula: C18H16O8
MolecularWeight: 360.3148
MdlNumber: MFCD00597047
Smiles: COc1cc(cc(c1OC)O)c1coc2c(c1=O)c(O)c(c(c2)O)OC
Complexity: 549
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AG28394
ChemicalName:
Irigenin
CasNumber:
548-76-5
MolecularFormula:
C18H16O8
MolecularWeight:
360.3148
MdlNumber:
MFCD00597047
Smiles:
COc1cc(cc(c1OC)O)c1coc2c(c1=O)c(O)c(c(c2)O)OC
Complexity:
549
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[N+](C)(CCOC(=O)C=C)CC1=CC=CC=C1.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[N+](C)(CCOC(=O)C=C)CC1=CC=CC=C1.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG28396
ChemicalName: Ethyl quinoline-2-carboxylate
CasNumber: 4491-33-2
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD02149441
Smiles: CCOC(=O)c1ccc2c(n1)cccc2
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AG28396
ChemicalName:
Ethyl quinoline-2-carboxylate
CasNumber:
4491-33-2
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD02149441
Smiles:
CCOC(=O)c1ccc2c(n1)cccc2
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)C(=O)O)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=C(C=C1NC(=O)CCC(C(=O)O)N)C(=O)O)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__