AF68200
406205-74-1 | BAY 59-3074
Manufacturer: A2B Chem
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CatalogNumber
AF68200
ChemicalName
BAY 59-3074
CasNumber
406205-74-1
MolecularFormula
C18H13F6NO4S
MolecularWeight
453.3555391999999
MdlNumber
MFCD09027365
Smiles
N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F
Complexity
709
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
11
RotatableBondCount
7
Xlogp3
5.4
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CatalogNumber: AF68200
ChemicalName: BAY 59-3074
CasNumber: 406205-74-1
MolecularFormula: C18H13F6NO4S
MolecularWeight: 453.3555391999999
MdlNumber: MFCD09027365
Smiles: N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F
Complexity: 709
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 11
RotatableBondCount: 7
Xlogp3: 5.4
CatalogNumber:
AF68200
ChemicalName:
BAY 59-3074
CasNumber:
406205-74-1
MolecularFormula:
C18H13F6NO4S
MolecularWeight:
453.3555391999999
MdlNumber:
MFCD09027365
Smiles:
N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F
Complexity:
709
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
11
RotatableBondCount:
7
Xlogp3:
5.4
CatalogNumber: __
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Smiles: CCOC(=O)NCCCC(=O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
CCOC(=O)NCCCC(=O)O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OCCNC1CCCc2c1[nH]c1c2cc(cc1)c1ccccc1
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Smiles:
OCCNC1CCCc2c1[nH]c1c2cc(cc1)c1ccccc1
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)N1C(=S)SC(=Cc2ccc(s2)N(=O)=O)C1=O
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)N1C(=S)SC(=Cc2ccc(s2)N(=O)=O)C1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__