AA54868
1219828-33-7 | 1-(Ethanesulfonyl)azetidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54868
ChemicalName
1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber
1219828-33-7
MolecularFormula
C6H11NO4S
MolecularWeight
193.2208
MdlNumber
MFCD16653315
Smiles
CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.8
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CatalogNumber: AA54868
ChemicalName: 1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber: 1219828-33-7
MolecularFormula: C6H11NO4S
MolecularWeight: 193.2208
MdlNumber: MFCD16653315
Smiles: CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.8
CatalogNumber:
AA54868
ChemicalName:
1-(Ethanesulfonyl)azetidine-3-carboxylic acid
CasNumber:
1219828-33-7
MolecularFormula:
C6H11NO4S
MolecularWeight:
193.2208
MdlNumber:
MFCD16653315
Smiles:
CCS(=O)(=O)N1CC(C1)C(=O)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)C1CN(C1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OC(=O)C1CN(C1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccc(cc1)c1ccccc1
Complexity: __
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Smiles:
Clc1ccc(cc1)c1ccc2c(c1)c1ccccc1n2c1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: BrCC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__