AI67648
539-86-6 | Allicin
Manufacturer: A2B Chem
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CatalogNumber
AI67648
ChemicalName
Allicin
CasNumber
539-86-6
MolecularFormula
C6H10OS2
MolecularWeight
162.273
MdlNumber
MFCD00468100
Smiles
C=CCSS(=O)CC=C
NscNumber
707388
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AI67648
ChemicalName: Allicin
CasNumber: 539-86-6
MolecularFormula: C6H10OS2
MolecularWeight: 162.273
MdlNumber: MFCD00468100
Smiles: C=CCSS(=O)CC=C
NscNumber: 707388
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AI67648
ChemicalName:
Allicin
CasNumber:
539-86-6
MolecularFormula:
C6H10OS2
MolecularWeight:
162.273
MdlNumber:
MFCD00468100
Smiles:
C=CCSS(=O)CC=C
NscNumber:
707388
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCO[Si](OCC)(OCC)CCCOCC1CO1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
CCO[Si](OCC)(OCC)CCCOCC1CO1
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: C1C(OC2=CC=CC=C2O1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1C(OC2=CC=CC=C2O1)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__