AB80374
50892-23-4 | [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB80374
ChemicalName
[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
CasNumber
50892-23-4
MolecularFormula
C14H14ClN3O2S
MolecularWeight
323.7979
MdlNumber
MFCD00191335
Smiles
OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C
NscNumber
310038
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.2
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CatalogNumber: AB80374
ChemicalName: [4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
CasNumber: 50892-23-4
MolecularFormula: C14H14ClN3O2S
MolecularWeight: 323.7979
MdlNumber: MFCD00191335
Smiles: OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C
NscNumber: 310038
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AB80374
ChemicalName:
[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid
CasNumber:
50892-23-4
MolecularFormula:
C14H14ClN3O2S
MolecularWeight:
323.7979
MdlNumber:
MFCD00191335
Smiles:
OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C
NscNumber:
310038
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.2
CatalogNumber: AB80375
ChemicalName: Xanthene
CasNumber: 92-83-1
MolecularFormula: C13H10O
MolecularWeight: 182.2179
MdlNumber: MFCD00005055
Smiles: c1ccc2c(c1)Oc1c(C2)cccc1
NscNumber: 46931
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
AB80375
ChemicalName:
Xanthene
CasNumber:
92-83-1
MolecularFormula:
C13H10O
MolecularWeight:
182.2179
MdlNumber:
MFCD00005055
Smiles:
c1ccc2c(c1)Oc1c(C2)cccc1
NscNumber:
46931
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB80377
ChemicalName: Xanthene-9-carboxylic acid
CasNumber: 82-07-5
MolecularFormula: C14H10O3
MolecularWeight: 226.2274
MdlNumber: MFCD00005059
Smiles: OC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber: 66208
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB80377
ChemicalName:
Xanthene-9-carboxylic acid
CasNumber:
82-07-5
MolecularFormula:
C14H10O3
MolecularWeight:
226.2274
MdlNumber:
MFCD00005059
Smiles:
OC(=O)C1c2ccccc2Oc2c1cccc2
NscNumber:
66208
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2