AI34419
141380-31-6 | 3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI34419
ChemicalName
3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile
CasNumber
141380-31-6
MolecularFormula
C15H18N2
MolecularWeight
226.3168
MdlNumber
MFCD28404913
Smiles
N#CC1C2CCC1CN(C2)Cc1ccccc1
Complexity
296
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
2.3
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CatalogNumber: AI34419
ChemicalName: 3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile
CasNumber: 141380-31-6
MolecularFormula: C15H18N2
MolecularWeight: 226.3168
MdlNumber: MFCD28404913
Smiles: N#CC1C2CCC1CN(C2)Cc1ccccc1
Complexity: 296
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.3
CatalogNumber:
AI34419
ChemicalName:
3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile
CasNumber:
141380-31-6
MolecularFormula:
C15H18N2
MolecularWeight:
226.3168
MdlNumber:
MFCD28404913
Smiles:
N#CC1C2CCC1CN(C2)Cc1ccccc1
Complexity:
296
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.3
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Smiles: [O-][N+](=O)c1ccccc1S(=O)(=O)NCCc1ccccc1
Complexity: __
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Smiles:
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCc1ccccc1
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__
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Smiles: CC[C@@H]([C@@H]([C@@H](CC(=O)OC)O)NC(=O)OC(C)(C)C)C
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Smiles:
CC[C@@H]([C@@H]([C@@H](CC(=O)OC)O)NC(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: Brc1cc2c(N)nn(c2cc1F)C
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ChemicalName:
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CasNumber:
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Smiles:
Brc1cc2c(N)nn(c2cc1F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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