AE82787
171485-39-5 | Myrislignan
Manufacturer: A2B Chem
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CatalogNumber
AE82787
ChemicalName
Myrislignan
CasNumber
171485-39-5
MolecularFormula
C21H26O6
MolecularWeight
374.4275
MdlNumber
MFCD13195532
Smiles
C=CCc1cc(OC)c(c(c1)OC)O[C@H]([C@@H](c1ccc(c(c1)OC)O)O)C
Complexity
430
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
3.8
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CatalogNumber: AE82787
ChemicalName: Myrislignan
CasNumber: 171485-39-5
MolecularFormula: C21H26O6
MolecularWeight: 374.4275
MdlNumber: MFCD13195532
Smiles: C=CCc1cc(OC)c(c(c1)OC)O[C@H]([C@@H](c1ccc(c(c1)OC)O)O)C
Complexity: 430
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 3.8
CatalogNumber:
AE82787
ChemicalName:
Myrislignan
CasNumber:
171485-39-5
MolecularFormula:
C21H26O6
MolecularWeight:
374.4275
MdlNumber:
MFCD13195532
Smiles:
C=CCc1cc(OC)c(c(c1)OC)O[C@H]([C@@H](c1ccc(c(c1)OC)O)O)C
Complexity:
430
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
3.8
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Smiles: CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1(N)CCCC1
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Smiles:
CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1(N)CCCC1
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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MdlNumber:
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Smiles:
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Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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