AD71328
152171-06-7 | 3-Propanoyl-1-tosylpyrrole
Manufacturer: A2B Chem
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CatalogNumber
AD71328
ChemicalName
3-Propanoyl-1-tosylpyrrole
CasNumber
152171-06-7
MolecularFormula
C14H15NO3S
MolecularWeight
277.3388
MdlNumber
MFCD20264413
Smiles
CCC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity
419
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AD71328
ChemicalName: 3-Propanoyl-1-tosylpyrrole
CasNumber: 152171-06-7
MolecularFormula: C14H15NO3S
MolecularWeight: 277.3388
MdlNumber: MFCD20264413
Smiles: CCC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AD71328
ChemicalName:
3-Propanoyl-1-tosylpyrrole
CasNumber:
152171-06-7
MolecularFormula:
C14H15NO3S
MolecularWeight:
277.3388
MdlNumber:
MFCD20264413
Smiles:
CCC(=O)c1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.4
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Smiles: Clc1ccc(c(c1)C(=O)Cl)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
Clc1ccc(c(c1)C(=O)Cl)O
Complexity:
__
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
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__
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Smiles: [O-][N+](=O)c1ccc(c2c1nccc2)F
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Smiles:
[O-][N+](=O)c1ccc(c2c1nccc2)F
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)CO[C@H]1OC(C(=O)O)[C@@H](C(C1O)O)O)C)C)C
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)CO[C@H]1OC(C(=O)O)[C@@H](C(C1O)O)O)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__