AI50945
480-44-4 | Acacetin
Manufacturer: A2B Chem
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CatalogNumber
AI50945
ChemicalName
Acacetin
CasNumber
480-44-4
MolecularFormula
C16H12O5
MolecularWeight
284.26347999999996
MdlNumber
MFCD00016936
Smiles
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
NscNumber
76061
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI50945
ChemicalName: Acacetin
CasNumber: 480-44-4
MolecularFormula: C16H12O5
MolecularWeight: 284.26347999999996
MdlNumber: MFCD00016936
Smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
NscNumber: 76061
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI50945
ChemicalName:
Acacetin
CasNumber:
480-44-4
MolecularFormula:
C16H12O5
MolecularWeight:
284.26347999999996
MdlNumber:
MFCD00016936
Smiles:
COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
NscNumber:
76061
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3
NscNumber:
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Complexity:
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RotatableBondCount:
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Smiles: Sc1c[nH]c2c1cccc2
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Complexity: __
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Smiles:
Sc1c[nH]c2c1cccc2
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: O=C(C(c1ccccc1)C(=O)[O-])N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(c1ccccc1)C(=O)[O-])N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__