AA16393
116574-14-2 | 1-Benzhydrylazetidin-3-yl 2-cyanoacetate
Manufacturer: A2B Chem
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CatalogNumber
AA16393
ChemicalName
1-Benzhydrylazetidin-3-yl 2-cyanoacetate
CasNumber
116574-14-2
MolecularFormula
C19H18N2O2
MolecularWeight
306.3584
MdlNumber
MFCD09032927
Smiles
N#CCC(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1
Complexity
420
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
3.1
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CatalogNumber: AA16393
ChemicalName: 1-Benzhydrylazetidin-3-yl 2-cyanoacetate
CasNumber: 116574-14-2
MolecularFormula: C19H18N2O2
MolecularWeight: 306.3584
MdlNumber: MFCD09032927
Smiles: N#CCC(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1
Complexity: 420
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 3.1
CatalogNumber:
AA16393
ChemicalName:
1-Benzhydrylazetidin-3-yl 2-cyanoacetate
CasNumber:
116574-14-2
MolecularFormula:
C19H18N2O2
MolecularWeight:
306.3584
MdlNumber:
MFCD09032927
Smiles:
N#CCC(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1
Complexity:
420
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
3.1
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Smiles: O=C(CC(=N)N)OC1CN(C1)C(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
O=C(CC(=N)N)OC1CN(C1)C(c1ccccc1)c1ccccc1
Complexity:
__
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Smiles: OC(=O)c1nn(c(c1)c1ccccc1)c1ccccc1Cl
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Smiles:
OC(=O)c1nn(c(c1)c1ccccc1)c1ccccc1Cl
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCC[N+](CCC)(CCC)C.[OH-]
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HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[N+](CCC)(CCC)C.[OH-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__