AB49392
478149-00-7 | Thieno[2,3-c]pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49392
ChemicalName
Thieno[2,3-c]pyridine-2-carboxylic acid
CasNumber
478149-00-7
MolecularFormula
C8H5NO2S
MolecularWeight
179.1958
MdlNumber
MFCD13659442
Smiles
OC(=O)c1cc2c(s1)cncc2
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB49392
ChemicalName: Thieno[2,3-c]pyridine-2-carboxylic acid
CasNumber: 478149-00-7
MolecularFormula: C8H5NO2S
MolecularWeight: 179.1958
MdlNumber: MFCD13659442
Smiles: OC(=O)c1cc2c(s1)cncc2
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB49392
ChemicalName:
Thieno[2,3-c]pyridine-2-carboxylic acid
CasNumber:
478149-00-7
MolecularFormula:
C8H5NO2S
MolecularWeight:
179.1958
MdlNumber:
MFCD13659442
Smiles:
OC(=O)c1cc2c(s1)cncc2
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCNCCC1
Complexity: 63.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCNCCC1
Complexity:
63.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1n[nH]c2c1CCCC2
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1n[nH]c2c1CCCC2
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AB49395
ChemicalName: 3-Amino-4-bromobenzotrifluoride
CasNumber: 454-79-5
MolecularFormula: C7H5BrF3N
MolecularWeight: 240.0205
MdlNumber: MFCD00007637
Smiles: Brc1ccc(cc1N)C(F)(F)F
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
AB49395
ChemicalName:
3-Amino-4-bromobenzotrifluoride
CasNumber:
454-79-5
MolecularFormula:
C7H5BrF3N
MolecularWeight:
240.0205
MdlNumber:
MFCD00007637
Smiles:
Brc1ccc(cc1N)C(F)(F)F
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3.1