AB50639
867130-58-3 | 6-Oxo-1,6-dihydropyridazine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50639
ChemicalName
6-Oxo-1,6-dihydropyridazine-4-carboxylic acid
CasNumber
867130-58-3
MolecularFormula
C5H4N2O3
MolecularWeight
140.0969
MdlNumber
MFCD08437486
Smiles
OC(=O)c1cn[nH]c(=O)c1
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-1
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CatalogNumber: AB50639
ChemicalName: 6-Oxo-1,6-dihydropyridazine-4-carboxylic acid
CasNumber: 867130-58-3
MolecularFormula: C5H4N2O3
MolecularWeight: 140.0969
MdlNumber: MFCD08437486
Smiles: OC(=O)c1cn[nH]c(=O)c1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -1
CatalogNumber:
AB50639
ChemicalName:
6-Oxo-1,6-dihydropyridazine-4-carboxylic acid
CasNumber:
867130-58-3
MolecularFormula:
C5H4N2O3
MolecularWeight:
140.0969
MdlNumber:
MFCD08437486
Smiles:
OC(=O)c1cn[nH]c(=O)c1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-1
CatalogNumber: AB50640
ChemicalName: N,N-Diethyl 5-borono-2-methoxybenzenesulfonamide
CasNumber: 871333-03-8
MolecularFormula: C11H18BNO5S
MolecularWeight: 287.1403
MdlNumber: MFCD08056367
Smiles: COc1cc(cc(c1)S(=O)(=O)N(CC)CC)B(O)O
Complexity: 366
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AB50640
ChemicalName:
N,N-Diethyl 5-borono-2-methoxybenzenesulfonamide
CasNumber:
871333-03-8
MolecularFormula:
C11H18BNO5S
MolecularWeight:
287.1403
MdlNumber:
MFCD08056367
Smiles:
COc1cc(cc(c1)S(=O)(=O)N(CC)CC)B(O)O
Complexity:
366
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: AB50641
ChemicalName: 4-Chloro-3-(n-propylaminocarbonyl)phenylboronic acid
CasNumber: 871332-93-3
MolecularFormula: C10H13BClNO3
MolecularWeight: 241.4791
MdlNumber: MFCD07783885
Smiles: CCCNC(=O)c1cc(ccc1Cl)B(O)O
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB50641
ChemicalName:
4-Chloro-3-(n-propylaminocarbonyl)phenylboronic acid
CasNumber:
871332-93-3
MolecularFormula:
C10H13BClNO3
MolecularWeight:
241.4791
MdlNumber:
MFCD07783885
Smiles:
CCCNC(=O)c1cc(ccc1Cl)B(O)O
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB50642
ChemicalName: Fmoc-D-phenylalanine
CasNumber: 86123-10-6
MolecularFormula: C24H21NO4
MolecularWeight: 387.4278
MdlNumber: MFCD00062955
Smiles: O=C(N[C@@H](C(=O)O)Cc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 551
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 4.6
CatalogNumber:
AB50642
ChemicalName:
Fmoc-D-phenylalanine
CasNumber:
86123-10-6
MolecularFormula:
C24H21NO4
MolecularWeight:
387.4278
MdlNumber:
MFCD00062955
Smiles:
O=C(N[C@@H](C(=O)O)Cc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
551
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
4.6