AB33264
28957-72-4 | 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
Manufacturer: A2B Chem
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CatalogNumber
AB33264
ChemicalName
8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
CasNumber
28957-72-4
MolecularFormula
C14H17NO
MolecularWeight
215.29088000000004
MdlNumber
MFCD00151640
Smiles
O=C1CC2CCC(C1)N2Cc1ccccc1
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.8
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CatalogNumber: AB33264
ChemicalName: 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
CasNumber: 28957-72-4
MolecularFormula: C14H17NO
MolecularWeight: 215.29088000000004
MdlNumber: MFCD00151640
Smiles: O=C1CC2CCC(C1)N2Cc1ccccc1
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.8
CatalogNumber:
AB33264
ChemicalName:
8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
CasNumber:
28957-72-4
MolecularFormula:
C14H17NO
MolecularWeight:
215.29088000000004
MdlNumber:
MFCD00151640
Smiles:
O=C1CC2CCC(C1)N2Cc1ccccc1
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.8
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Smiles: CC(Cc1cc(C)c(cc1C(=O)N)C)C
Complexity: __
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Smiles:
CC(Cc1cc(C)c(cc1C(=O)N)C)C
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__
HydrogenBondAcceptorCount:
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Smiles: O=C1NCCCC[C@H]1N
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Smiles:
O=C1NCCCC[C@H]1N
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CC(=O)O[C@H]1CCC([C@@H]2[C@]31CO[C@]([C@H]2O)([C@@]12[C@H]3CC[C@H]([C@H]2O)C(=C)C1=O)O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@H]1CCC([C@@H]2[C@]31CO[C@]([C@H]2O)([C@@]12[C@H]3CC[C@H]([C@H]2O)C(=C)C1=O)O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__