AI46335
273748-51-9 | 2-(Pyridin-3-ylmethyl)quinuclidin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AI46335
ChemicalName
2-(Pyridin-3-ylmethyl)quinuclidin-3-one
CasNumber
273748-51-9
MolecularFormula
C13H16N2O
MolecularWeight
216.2789
MdlNumber
MFCD24848637
Smiles
O=C1C2CCN(C1Cc1cccnc1)CC2
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AI46335
ChemicalName: 2-(Pyridin-3-ylmethyl)quinuclidin-3-one
CasNumber: 273748-51-9
MolecularFormula: C13H16N2O
MolecularWeight: 216.2789
MdlNumber: MFCD24848637
Smiles: O=C1C2CCN(C1Cc1cccnc1)CC2
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AI46335
ChemicalName:
2-(Pyridin-3-ylmethyl)quinuclidin-3-one
CasNumber:
273748-51-9
MolecularFormula:
C13H16N2O
MolecularWeight:
216.2789
MdlNumber:
MFCD24848637
Smiles:
O=C1C2CCN(C1Cc1cccnc1)CC2
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1oc2ccccc2nc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1oc2ccccc2nc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI46337
ChemicalName: 1,2,3,9-Tetrahydro-9-methyl-4h-carbazole-4-one
CasNumber: 27387-31-1
MolecularFormula: C13H13NO
MolecularWeight: 199.2484
MdlNumber: MFCD00173748
Smiles: Cn1c2ccccc2c2c1CCCC2=O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AI46337
ChemicalName:
1,2,3,9-Tetrahydro-9-methyl-4h-carbazole-4-one
CasNumber:
27387-31-1
MolecularFormula:
C13H13NO
MolecularWeight:
199.2484
MdlNumber:
MFCD00173748
Smiles:
Cn1c2ccccc2c2c1CCCC2=O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(c(c1)[N+](=O)[O-])O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(c(c1)[N+](=O)[O-])O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__