AB57584
90418-64-7 | 1,5-Naphthyridine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57584
ChemicalName
1,5-Naphthyridine-3-carboxylic acid
CasNumber
90418-64-7
MolecularFormula
C9H6N2O2
MolecularWeight
174.1561
MdlNumber
MFCD13179643
Smiles
OC(=O)c1cnc2c(c1)nccc2
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AB57584
ChemicalName: 1,5-Naphthyridine-3-carboxylic acid
CasNumber: 90418-64-7
MolecularFormula: C9H6N2O2
MolecularWeight: 174.1561
MdlNumber: MFCD13179643
Smiles: OC(=O)c1cnc2c(c1)nccc2
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB57584
ChemicalName:
1,5-Naphthyridine-3-carboxylic acid
CasNumber:
90418-64-7
MolecularFormula:
C9H6N2O2
MolecularWeight:
174.1561
MdlNumber:
MFCD13179643
Smiles:
OC(=O)c1cnc2c(c1)nccc2
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: AB57585
ChemicalName: 1,5-Pentanedioic acid monobenzyl ester
CasNumber: 54322-10-0
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD00447718
Smiles: OC(=O)CCCC(=O)OCc1ccccc1
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AB57585
ChemicalName:
1,5-Pentanedioic acid monobenzyl ester
CasNumber:
54322-10-0
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD00447718
Smiles:
OC(=O)CCCC(=O)OCc1ccccc1
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCCO
Complexity: 25.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCCO
Complexity:
25.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SCCCCCS
Complexity: 25.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SCCCCCS
Complexity:
25.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9