AC50528
73463-39-5 | 3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AC50528
ChemicalName
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
CasNumber
73463-39-5
MolecularFormula
C9H19NO4S
MolecularWeight
237.3165
MdlNumber
MFCD00041778
Smiles
OC(CS(=O)(=O)O)CNC1CCCCC1
Complexity
266
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
-2.4
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CatalogNumber: AC50528
ChemicalName: 3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
CasNumber: 73463-39-5
MolecularFormula: C9H19NO4S
MolecularWeight: 237.3165
MdlNumber: MFCD00041778
Smiles: OC(CS(=O)(=O)O)CNC1CCCCC1
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.4
CatalogNumber:
AC50528
ChemicalName:
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid
CasNumber:
73463-39-5
MolecularFormula:
C9H19NO4S
MolecularWeight:
237.3165
MdlNumber:
MFCD00041778
Smiles:
OC(CS(=O)(=O)O)CNC1CCCCC1
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: [S-]SC(=S)[S-].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[S-]SC(=S)[S-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OC(=O)c1nc(O)c(c(c1Cl)Cl)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1nc(O)c(c(c1Cl)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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MdlNumber: __
Smiles: NCCCCN1CCCNC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCCN1CCCNC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__