AB22523
23256-30-6 | Nifurtimox
Manufacturer: A2B Chem
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CatalogNumber
AB22523
ChemicalName
Nifurtimox
CasNumber
23256-30-6
MolecularFormula
C10H13N3O5S
MolecularWeight
287.2923
MdlNumber
MFCD00869254
Smiles
CC1CS(=O)(=O)CCN1N=Cc1ccc(o1)[N+](=O)[O-]
Complexity
467
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AB22523
ChemicalName: Nifurtimox
CasNumber: 23256-30-6
MolecularFormula: C10H13N3O5S
MolecularWeight: 287.2923
MdlNumber: MFCD00869254
Smiles: CC1CS(=O)(=O)CCN1N=Cc1ccc(o1)[N+](=O)[O-]
Complexity: 467
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AB22523
ChemicalName:
Nifurtimox
CasNumber:
23256-30-6
MolecularFormula:
C10H13N3O5S
MolecularWeight:
287.2923
MdlNumber:
MFCD00869254
Smiles:
CC1CS(=O)(=O)CCN1N=Cc1ccc(o1)[N+](=O)[O-]
Complexity:
467
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)COc1nn(c2c1cccc2)Cc1ccccc1.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]C(=O)COc1nn(c2c1cccc2)Cc1ccccc1.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__