AI33235
1378408-99-1 | 1-(2-Methoxybenzoyl)azetidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI33235
ChemicalName
1-(2-Methoxybenzoyl)azetidine-3-carboxylic acid
CasNumber
1378408-99-1
MolecularFormula
C12H13NO4
MolecularWeight
235.2359
MdlNumber
MFCD20550353
Smiles
COc1ccccc1C(=O)N1CC(C1)C(=O)O
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.2
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CatalogNumber: AI33235
ChemicalName: 1-(2-Methoxybenzoyl)azetidine-3-carboxylic acid
CasNumber: 1378408-99-1
MolecularFormula: C12H13NO4
MolecularWeight: 235.2359
MdlNumber: MFCD20550353
Smiles: COc1ccccc1C(=O)N1CC(C1)C(=O)O
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.2
CatalogNumber:
AI33235
ChemicalName:
1-(2-Methoxybenzoyl)azetidine-3-carboxylic acid
CasNumber:
1378408-99-1
MolecularFormula:
C12H13NO4
MolecularWeight:
235.2359
MdlNumber:
MFCD20550353
Smiles:
COc1ccccc1C(=O)N1CC(C1)C(=O)O
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.2
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Smiles: O=C(c1ccc(cc1F)[N+](=O)[O-])NC1CCCCC1
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O=C(c1ccc(cc1F)[N+](=O)[O-])NC1CCCCC1
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Smiles: Fc1cnc2c(c1)nc(cc2)Cl
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Smiles:
Fc1cnc2c(c1)nc(cc2)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=Cc1c(F)ccc(c1C)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(F)ccc(c1C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__