AA84075
162359-55-9 | Fingolimod
Manufacturer: A2B Chem
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CatalogNumber
AA84075
ChemicalName
Fingolimod
CasNumber
162359-55-9
MolecularFormula
C19H33NO2
MolecularWeight
307.4708
MdlNumber
MFCD14705150
Smiles
CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
12
Xlogp3
4.2
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CatalogNumber: AA84075
ChemicalName: Fingolimod
CasNumber: 162359-55-9
MolecularFormula: C19H33NO2
MolecularWeight: 307.4708
MdlNumber: MFCD14705150
Smiles: CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 12
Xlogp3: 4.2
CatalogNumber:
AA84075
ChemicalName:
Fingolimod
CasNumber:
162359-55-9
MolecularFormula:
C19H33NO2
MolecularWeight:
307.4708
MdlNumber:
MFCD14705150
Smiles:
CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
12
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCc1ccc(cc1)CCC(NC(=O)C)(COC(=O)C)COC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCc1ccc(cc1)CCC(NC(=O)C)(COC(=O)C)COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCc1ccc(cc1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCc1ccc(cc1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA84078
ChemicalName: 1-(2-Iodoethyl)-4-octylbenzene
CasNumber: 162358-07-8
MolecularFormula: C16H25I
MolecularWeight: 344.2742
MdlNumber: MFCD09753530
Smiles: CCCCCCCCc1ccc(cc1)CCI
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 9
Xlogp3: 7.5
CatalogNumber:
AA84078
ChemicalName:
1-(2-Iodoethyl)-4-octylbenzene
CasNumber:
162358-07-8
MolecularFormula:
C16H25I
MolecularWeight:
344.2742
MdlNumber:
MFCD09753530
Smiles:
CCCCCCCCc1ccc(cc1)CCI
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
9
Xlogp3:
7.5