AF57471
315-22-0 | Monocrotaline
Manufacturer: A2B Chem
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CatalogNumber
AF57471
ChemicalName
Monocrotaline
CasNumber
315-22-0
MolecularFormula
C16H23NO6
MolecularWeight
325.3569
MdlNumber
MFCD00084656
Smiles
O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O
Complexity
575
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
5
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
Xlogp3
-0.7
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CatalogNumber: AF57471
ChemicalName: Monocrotaline
CasNumber: 315-22-0
MolecularFormula: C16H23NO6
MolecularWeight: 325.3569
MdlNumber: MFCD00084656
Smiles: O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O
Complexity: 575
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 5
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
Xlogp3: -0.7
CatalogNumber:
AF57471
ChemicalName:
Monocrotaline
CasNumber:
315-22-0
MolecularFormula:
C16H23NO6
MolecularWeight:
325.3569
MdlNumber:
MFCD00084656
Smiles:
O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O
Complexity:
575
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
5
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
Xlogp3:
-0.7
CatalogNumber: __
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MolecularFormula: __
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Smiles: [O-][N+](=O)O.OCC(CO)(CO)N
Complexity: __
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Smiles:
[O-][N+](=O)O.OCC(CO)(CO)N
Complexity:
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Smiles: OC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cc1ncn(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
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Smiles:
OC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Cc1ncn(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
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Smiles: Br[Pt-2](Br)(Br)(Br)(Br)Br.[Na+].[Na+]
Complexity: __
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DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Br[Pt-2](Br)(Br)(Br)(Br)Br.[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__