AB72265
55804-65-4 | 11-oxo-2,3,5,6,7,11-Hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB72265
ChemicalName
11-oxo-2,3,5,6,7,11-Hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid
CasNumber
55804-65-4
MolecularFormula
C16H15NO4
MolecularWeight
285.2946
MdlNumber
MFCD00051335
Smiles
OC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4
Complexity
514
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AB72265
ChemicalName: 11-oxo-2,3,5,6,7,11-Hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid
CasNumber: 55804-65-4
MolecularFormula: C16H15NO4
MolecularWeight: 285.2946
MdlNumber: MFCD00051335
Smiles: OC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4
Complexity: 514
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB72265
ChemicalName:
11-oxo-2,3,5,6,7,11-Hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid
CasNumber:
55804-65-4
MolecularFormula:
C16H15NO4
MolecularWeight:
285.2946
MdlNumber:
MFCD00051335
Smiles:
OC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4
Complexity:
514
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AB72266
ChemicalName: Coumarin-3-carboxylic acid
CasNumber: 531-81-7
MolecularFormula: C10H6O4
MolecularWeight: 190.1522
MdlNumber: MFCD00006852
Smiles: OC(=O)c1cc2ccccc2oc1=O
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB72266
ChemicalName:
Coumarin-3-carboxylic acid
CasNumber:
531-81-7
MolecularFormula:
C10H6O4
MolecularWeight:
190.1522
MdlNumber:
MFCD00006852
Smiles:
OC(=O)c1cc2ccccc2oc1=O
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
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Smiles: CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N.Cl
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Smiles:
CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N.Cl
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Smiles: [O-]P(=O)(O)O.[O-]C(=O)CN(C(=N)N)C.[Na+].[Na+].O.O.O.O
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]P(=O)(O)O.[O-]C(=O)CN(C(=N)N)C.[Na+].[Na+].O.O.O.O
Complexity:
__
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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