AV18523
883290-81-1 | 4-[(Carboxymethyl)(methyl)amino]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18523
ChemicalName
4-[(Carboxymethyl)(methyl)amino]benzoic acid
CasNumber
883290-81-1
MolecularFormula
C10H11NO4
MolecularWeight
209.1986
MdlNumber
MFCD01014170
Smiles
OC(=O)CN(c1ccc(cc1)C(=O)O)C
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AV18523
ChemicalName: 4-[(Carboxymethyl)(methyl)amino]benzoic acid
CasNumber: 883290-81-1
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD01014170
Smiles: OC(=O)CN(c1ccc(cc1)C(=O)O)C
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AV18523
ChemicalName:
4-[(Carboxymethyl)(methyl)amino]benzoic acid
CasNumber:
883290-81-1
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD01014170
Smiles:
OC(=O)CN(c1ccc(cc1)C(=O)O)C
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: AV18524
ChemicalName: 2-(1-(4-Chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid
CasNumber: 1067186-56-4
MolecularFormula: C20H13ClF3NO3
MolecularWeight: 407.7703
MdlNumber: MFCD18782752
Smiles: Clc1ccc(cc1)C1(CC1)c1nc2c(c(c1O)C(=O)O)cccc2C(F)(F)F
Complexity: 604
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 5.7
CatalogNumber:
AV18524
ChemicalName:
2-(1-(4-Chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid
CasNumber:
1067186-56-4
MolecularFormula:
C20H13ClF3NO3
MolecularWeight:
407.7703
MdlNumber:
MFCD18782752
Smiles:
Clc1ccc(cc1)C1(CC1)c1nc2c(c(c1O)C(=O)O)cccc2C(F)(F)F
Complexity:
604
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
5.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ncnc2c1c1CCCCc1[nH]2
Complexity: 223
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ncnc2c1c1CCCCc1[nH]2
Complexity:
223
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)Cl
Complexity: 390
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)Cl
Complexity:
390
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1