AI41444
18336-36-2 | 1-Phenylpyrazole-4-sulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AI41444
ChemicalName
1-Phenylpyrazole-4-sulfonic acid
CasNumber
18336-36-2
MolecularFormula
C9H8N2O3S
MolecularWeight
224.2364
MdlNumber
MFCD27981337
Smiles
OS(=O)(=O)c1cnn(c1)c1ccccc1
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AI41444
ChemicalName: 1-Phenylpyrazole-4-sulfonic acid
CasNumber: 18336-36-2
MolecularFormula: C9H8N2O3S
MolecularWeight: 224.2364
MdlNumber: MFCD27981337
Smiles: OS(=O)(=O)c1cnn(c1)c1ccccc1
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AI41444
ChemicalName:
1-Phenylpyrazole-4-sulfonic acid
CasNumber:
18336-36-2
MolecularFormula:
C9H8N2O3S
MolecularWeight:
224.2364
MdlNumber:
MFCD27981337
Smiles:
OS(=O)(=O)c1cnn(c1)c1ccccc1
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
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Smiles: ClS(=O)(=O)c1cnn(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
ClS(=O)(=O)c1cnn(c1)c1ccccc1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)Cc1ccc(c(c1)[N+](=O)[O-])O
Complexity: __
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Smiles:
CCOC(=O)Cc1ccc(c(c1)[N+](=O)[O-])O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)C)C)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)C)C)CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__