AD70472
104468-87-3 | Pyrazolo[1,5-a]pyridine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD70472
ChemicalName
Pyrazolo[1,5-a]pyridine-5-carboxylic acid
CasNumber
104468-87-3
MolecularFormula
C8H6N2O2
MolecularWeight
162.1454
MdlNumber
MFCD12828626
Smiles
OC(=O)c1ccn2c(c1)ccn2
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AD70472
ChemicalName: Pyrazolo[1,5-a]pyridine-5-carboxylic acid
CasNumber: 104468-87-3
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD12828626
Smiles: OC(=O)c1ccn2c(c1)ccn2
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AD70472
ChemicalName:
Pyrazolo[1,5-a]pyridine-5-carboxylic acid
CasNumber:
104468-87-3
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD12828626
Smiles:
OC(=O)c1ccn2c(c1)ccn2
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
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Smiles: Nc1cc(cc(c1)S(=O)(=O)N)[N+](=O)[O-]
Complexity: __
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Smiles:
Nc1cc(cc(c1)S(=O)(=O)N)[N+](=O)[O-]
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Smiles: [Na]OS(=O)(=O)C1CC(=O)N(C1=O)OC(=O)CCNC(=O)C(C(=O)NCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O[Na])NC(=O)CCSSCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[Na]OS(=O)(=O)C1CC(=O)N(C1=O)OC(=O)CCNC(=O)C(C(=O)NCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O[Na])NC(=O)CCSSCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__