AB18385
208121-88-4 | N-[(4-Fluorophenyl)sulfonyl]-beta-alanine
Manufacturer: A2B Chem
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CatalogNumber
AB18385
ChemicalName
N-[(4-Fluorophenyl)sulfonyl]-beta-alanine
CasNumber
208121-88-4
MolecularFormula
C9H10FNO4S
MolecularWeight
247.2434
MdlNumber
MFCD02361172
Smiles
OC(=O)CCNS(=O)(=O)c1ccc(cc1)F
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.5
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CatalogNumber: AB18385
ChemicalName: N-[(4-Fluorophenyl)sulfonyl]-beta-alanine
CasNumber: 208121-88-4
MolecularFormula: C9H10FNO4S
MolecularWeight: 247.2434
MdlNumber: MFCD02361172
Smiles: OC(=O)CCNS(=O)(=O)c1ccc(cc1)F
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.5
CatalogNumber:
AB18385
ChemicalName:
N-[(4-Fluorophenyl)sulfonyl]-beta-alanine
CasNumber:
208121-88-4
MolecularFormula:
C9H10FNO4S
MolecularWeight:
247.2434
MdlNumber:
MFCD02361172
Smiles:
OC(=O)CCNS(=O)(=O)c1ccc(cc1)F
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: O=CC=Cc1ccccc1OC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=CC=Cc1ccccc1OC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCN1CC(CC1=O)C(=O)O
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Smiles:
CCCN1CC(CC1=O)C(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)c1ccc2c(c1)[nH]c(n2)Cc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc2c(c1)[nH]c(n2)Cc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__