AA80816
159143-14-3 | 4-(2-Amino-2-oxoethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA80816
ChemicalName
4-(2-Amino-2-oxoethoxy)benzoic acid
CasNumber
159143-14-3
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD02364313
Smiles
NC(=O)COc1ccc(cc1)C(=O)O
Complexity
221
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.3
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CatalogNumber: AA80816
ChemicalName: 4-(2-Amino-2-oxoethoxy)benzoic acid
CasNumber: 159143-14-3
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD02364313
Smiles: NC(=O)COc1ccc(cc1)C(=O)O
Complexity: 221
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.3
CatalogNumber:
AA80816
ChemicalName:
4-(2-Amino-2-oxoethoxy)benzoic acid
CasNumber:
159143-14-3
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD02364313
Smiles:
NC(=O)COc1ccc(cc1)C(=O)O
Complexity:
221
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.NN=CNC(=O)c1ccc(c(c1)S(=O)(=O)C)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.NN=CNC(=O)c1ccc(c(c1)S(=O)(=O)C)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA80820
ChemicalName: Cariporide
CasNumber: 159138-80-4
MolecularFormula: C12H17N3O3S
MolecularWeight: 283.3467
MdlNumber: MFCD01759366
Smiles: NN=CNC(=O)c1ccc(c(c1)S(=O)(=O)C)C(C)C
Complexity: 461
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AA80820
ChemicalName:
Cariporide
CasNumber:
159138-80-4
MolecularFormula:
C12H17N3O3S
MolecularWeight:
283.3467
MdlNumber:
MFCD01759366
Smiles:
NN=CNC(=O)c1ccc(c(c1)S(=O)(=O)C)C(C)C
Complexity:
461
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.2