AX11880
468717-73-9 | 3-Formyl-1-tosyl-1H-indole-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AX11880
ChemicalName
3-Formyl-1-tosyl-1H-indole-5-carbonitrile
CasNumber
468717-73-9
MolecularFormula
C17H12N2O3S
MolecularWeight
324.3538
MdlNumber
MFCD30606298
Smiles
O=Cc1cn(c2c1cc(C#N)cc2)S(=O)(=O)c1ccc(cc1)C
Complexity
595
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AX11880
ChemicalName: 3-Formyl-1-tosyl-1H-indole-5-carbonitrile
CasNumber: 468717-73-9
MolecularFormula: C17H12N2O3S
MolecularWeight: 324.3538
MdlNumber: MFCD30606298
Smiles: O=Cc1cn(c2c1cc(C#N)cc2)S(=O)(=O)c1ccc(cc1)C
Complexity: 595
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AX11880
ChemicalName:
3-Formyl-1-tosyl-1H-indole-5-carbonitrile
CasNumber:
468717-73-9
MolecularFormula:
C17H12N2O3S
MolecularWeight:
324.3538
MdlNumber:
MFCD30606298
Smiles:
O=Cc1cn(c2c1cc(C#N)cc2)S(=O)(=O)c1ccc(cc1)C
Complexity:
595
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: O=C(N1CC2CCCC(C1)C12ON=C(C1)C(=O)O)OC(C)(C)C
Complexity: __
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Smiles:
O=C(N1CC2CCCC(C1)C12ON=C(C1)C(=O)O)OC(C)(C)C
Complexity:
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Smiles: CCOC(=O)c1cc2n(n1)CCN(C2CN)C(=O)OC(C)(C)C
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Smiles:
CCOC(=O)c1cc2n(n1)CCN(C2CN)C(=O)OC(C)(C)C
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__
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Smiles: NCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
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Smiles:
NCCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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