AA33602
120004-79-7 | 3,4-Dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone
Manufacturer: A2B Chem
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CatalogNumber
AA33602
ChemicalName
3,4-Dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone
CasNumber
120004-79-7
MolecularFormula
C13H16ClNO2
MolecularWeight
253.7246
MdlNumber
MFCD07787529
Smiles
ClCCCCOc1ccc2c(c1)NC(=O)CC2
Complexity
260
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.3
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CatalogNumber: AA33602
ChemicalName: 3,4-Dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone
CasNumber: 120004-79-7
MolecularFormula: C13H16ClNO2
MolecularWeight: 253.7246
MdlNumber: MFCD07787529
Smiles: ClCCCCOc1ccc2c(c1)NC(=O)CC2
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AA33602
ChemicalName:
3,4-Dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone
CasNumber:
120004-79-7
MolecularFormula:
C13H16ClNO2
MolecularWeight:
253.7246
MdlNumber:
MFCD07787529
Smiles:
ClCCCCOc1ccc2c(c1)NC(=O)CC2
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.3
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Smiles: COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)[N+](=O)[O-])c(cs2)CC(C)C
Complexity: __
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Smiles:
COC(=O)C1=C(C)Nc2c(C1c1cccc(c1)[N+](=O)[O-])c(cs2)CC(C)C
Complexity:
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Smiles: CCC1CCC(C1)CCC(=O)[O-].CCC1CCC(C1)CCC(=O)[O-].[Zn+2]
Complexity: __
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Smiles:
CCC1CCC(C1)CCC(=O)[O-].CCC1CCC(C1)CCC(=O)[O-].[Zn+2]
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Smiles: [O-]C(=O)[O-].[O-]C(=O)[O-].[Mg+2].[Ca+2]
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Smiles:
[O-]C(=O)[O-].[O-]C(=O)[O-].[Mg+2].[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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