AF56922
32791-84-7 | Panaxatriol
Manufacturer: A2B Chem
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CatalogNumber
AF56922
ChemicalName
Panaxatriol
CasNumber
32791-84-7
MolecularFormula
C30H52O4
MolecularWeight
476.7315
MdlNumber
MFCD00210541
Smiles
OC1CC2(C)C(C3(C1C(C)(C)C(O)CC3)C)CC(C1C2(C)CCC1C1(C)CCCC(O1)(C)C)O
Complexity
823
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
11
HeavyAtomCount
34
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
5.5
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CatalogNumber: AF56922
ChemicalName: Panaxatriol
CasNumber: 32791-84-7
MolecularFormula: C30H52O4
MolecularWeight: 476.7315
MdlNumber: MFCD00210541
Smiles: OC1CC2(C)C(C3(C1C(C)(C)C(O)CC3)C)CC(C1C2(C)CCC1C1(C)CCCC(O1)(C)C)O
Complexity: 823
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 11
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 5.5
CatalogNumber:
AF56922
ChemicalName:
Panaxatriol
CasNumber:
32791-84-7
MolecularFormula:
C30H52O4
MolecularWeight:
476.7315
MdlNumber:
MFCD00210541
Smiles:
OC1CC2(C)C(C3(C1C(C)(C)C(O)CC3)C)CC(C1C2(C)CCC1C1(C)CCCC(O1)(C)C)O
Complexity:
823
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
11
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
5.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCNCC1.O.[Cl-].[H+]
Complexity: 72.1
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCNCC1.O.[Cl-].[H+]
Complexity:
72.1
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCOc1ccc(cc1)C#C
Complexity: 157
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCOc1ccc(cc1)C#C
Complexity:
157
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: AF56926
ChemicalName: N-(4-Chloro-2-nitro-phenyl)-3-oxo-butyramide
CasNumber: 34797-69-8
MolecularFormula: C10H9ClN2O4
MolecularWeight: 256.6425
MdlNumber: MFCD00071560
Smiles: O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AF56926
ChemicalName:
N-(4-Chloro-2-nitro-phenyl)-3-oxo-butyramide
CasNumber:
34797-69-8
MolecularFormula:
C10H9ClN2O4
MolecularWeight:
256.6425
MdlNumber:
MFCD00071560
Smiles:
O=C(Nc1ccc(cc1[N+](=O)[O-])Cl)CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__