AE71461
1240529-14-9 | 3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one
Manufacturer: A2B Chem
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CatalogNumber
AE71461
ChemicalName
3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one
CasNumber
1240529-14-9
MolecularFormula
C13H15NO
MolecularWeight
201.2643
MdlNumber
MFCD21642063
Smiles
O=C1C2CC1CN(C2)Cc1ccccc1
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.4
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CatalogNumber: AE71461
ChemicalName: 3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one
CasNumber: 1240529-14-9
MolecularFormula: C13H15NO
MolecularWeight: 201.2643
MdlNumber: MFCD21642063
Smiles: O=C1C2CC1CN(C2)Cc1ccccc1
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.4
CatalogNumber:
AE71461
ChemicalName:
3-Benzyl-3-azabicyclo[3.1.1]heptan-6-one
CasNumber:
1240529-14-9
MolecularFormula:
C13H15NO
MolecularWeight:
201.2643
MdlNumber:
MFCD21642063
Smiles:
O=C1C2CC1CN(C2)Cc1ccccc1
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.4
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Smiles: CCN([C@H]1CCCNC1)Cc1ccccc1
Complexity: __
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Smiles:
CCN([C@H]1CCCNC1)Cc1ccccc1
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Smiles: OCCOC1CCC(CC1)NCc1ccccc1
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Smiles:
OCCOC1CCC(CC1)NCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: OC(=O)CN1CCC(C1)N(C(=O)OCc1ccccc1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CN1CCC(C1)N(C(=O)OCc1ccccc1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__