AD86253
883065-90-5 | Bi-78d3
Manufacturer: A2B Chem
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CatalogNumber
AD86253
ChemicalName
Bi-78d3
CasNumber
883065-90-5
MolecularFormula
C13H9N5O5S2
MolecularWeight
379.3711
MdlNumber
MFCD01313575
Smiles
[O-][N+](=O)c1cnc(s1)Sc1n[nH]c(=O)n1c1ccc2c(c1)OCCO2
Complexity
588
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AD86253
ChemicalName: Bi-78d3
CasNumber: 883065-90-5
MolecularFormula: C13H9N5O5S2
MolecularWeight: 379.3711
MdlNumber: MFCD01313575
Smiles: [O-][N+](=O)c1cnc(s1)Sc1n[nH]c(=O)n1c1ccc2c(c1)OCCO2
Complexity: 588
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AD86253
ChemicalName:
Bi-78d3
CasNumber:
883065-90-5
MolecularFormula:
C13H9N5O5S2
MolecularWeight:
379.3711
MdlNumber:
MFCD01313575
Smiles:
[O-][N+](=O)c1cnc(s1)Sc1n[nH]c(=O)n1c1ccc2c(c1)OCCO2
Complexity:
588
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: [Mg]CCCCCCCCCCCCCCBr
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[Mg]CCCCCCCCCCCCCCBr
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NN(CC1CC1)CC1CC1
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Smiles:
NN(CC1CC1)CC1CC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)S(=O)(=O)CCN1CCN(CC1)Cc1ccccc1
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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__
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:
Clc1ccc(cc1)S(=O)(=O)CCN1CCN(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__