AI56206
77168-76-4 | 3-Carbamoyl-6-hydroxypyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI56206
ChemicalName
3-Carbamoyl-6-hydroxypyrazine-2-carboxylic acid
CasNumber
77168-76-4
MolecularFormula
C6H5N3O4
MolecularWeight
183.1216
MdlNumber
MFCD27998225
Smiles
OC(=O)c1[nH]c(=O)cnc1C(=O)N
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-1.9
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CatalogNumber: AI56206
ChemicalName: 3-Carbamoyl-6-hydroxypyrazine-2-carboxylic acid
CasNumber: 77168-76-4
MolecularFormula: C6H5N3O4
MolecularWeight: 183.1216
MdlNumber: MFCD27998225
Smiles: OC(=O)c1[nH]c(=O)cnc1C(=O)N
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -1.9
CatalogNumber:
AI56206
ChemicalName:
3-Carbamoyl-6-hydroxypyrazine-2-carboxylic acid
CasNumber:
77168-76-4
MolecularFormula:
C6H5N3O4
MolecularWeight:
183.1216
MdlNumber:
MFCD27998225
Smiles:
OC(=O)c1[nH]c(=O)cnc1C(=O)N
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-1.9
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Smiles: Clc1cccc(c1)COc1ccccc1C(=C)n1cncc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Clc1cccc(c1)COc1ccccc1C(=C)n1cncc1
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Smiles: CCCNC(=O)c1cccc(c1)O
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Smiles:
CCCNC(=O)c1cccc(c1)O
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)C1CCC2(C1)OCCO2
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C1CCC2(C1)OCCO2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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