AD35758
39793-31-2 | 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD35758
ChemicalName
4H-Thieno[3,2-b]pyrrole-5-carboxylic acid
CasNumber
39793-31-2
MolecularFormula
C7H5NO2S
MolecularWeight
167.1851
MdlNumber
MFCD07368542
Smiles
OC(=O)c1cc2c([nH]1)ccs2
Complexity
185
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AD35758
ChemicalName: 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid
CasNumber: 39793-31-2
MolecularFormula: C7H5NO2S
MolecularWeight: 167.1851
MdlNumber: MFCD07368542
Smiles: OC(=O)c1cc2c([nH]1)ccs2
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AD35758
ChemicalName:
4H-Thieno[3,2-b]pyrrole-5-carboxylic acid
CasNumber:
39793-31-2
MolecularFormula:
C7H5NO2S
MolecularWeight:
167.1851
MdlNumber:
MFCD07368542
Smiles:
OC(=O)c1cc2c([nH]1)ccs2
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
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Smiles: OS(=O)(=O)O.SCCN=C(N)N.SCCN=C(N)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
OS(=O)(=O)O.SCCN=C(N)N.SCCN=C(N)N
Complexity:
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc(ccc1C(=O)Cl)[N+](=O)[O-]
Complexity: __
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Smiles:
COc1cc(ccc1C(=O)Cl)[N+](=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCC/C=CCCCCCC[C@@H](C(=O)O)N
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Smiles:
CCCCCCCC/C=CCCCCCC[C@@H](C(=O)O)N
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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Xlogp3:
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