AI54087
63208-65-1 | 4-Benzyl-2H-1,4-benzoxazin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AI54087
ChemicalName
4-Benzyl-2H-1,4-benzoxazin-3-one
CasNumber
63208-65-1
MolecularFormula
C15H13NO2
MolecularWeight
239.2692
MdlNumber
MFCD01413458
Smiles
O=C1COc2c(N1Cc1ccccc1)cccc2
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI54087
ChemicalName: 4-Benzyl-2H-1,4-benzoxazin-3-one
CasNumber: 63208-65-1
MolecularFormula: C15H13NO2
MolecularWeight: 239.2692
MdlNumber: MFCD01413458
Smiles: O=C1COc2c(N1Cc1ccccc1)cccc2
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI54087
ChemicalName:
4-Benzyl-2H-1,4-benzoxazin-3-one
CasNumber:
63208-65-1
MolecularFormula:
C15H13NO2
MolecularWeight:
239.2692
MdlNumber:
MFCD01413458
Smiles:
O=C1COc2c(N1Cc1ccccc1)cccc2
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AI54088
ChemicalName: 4'-Hydroxy-3'-nitroacetophenone
CasNumber: 6322-56-1
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00017002
Smiles: [O-][N+](=O)c1cc(ccc1O)C(=O)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI54088
ChemicalName:
4'-Hydroxy-3'-nitroacetophenone
CasNumber:
6322-56-1
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00017002
Smiles:
[O-][N+](=O)c1cc(ccc1O)C(=O)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AI54089
ChemicalName: Ginsenoside rh1
CasNumber: 63223-86-9
MolecularFormula: C36H62O9
MolecularWeight: 638.8721
MdlNumber: MFCD09951797
Smiles: OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI54089
ChemicalName:
Ginsenoside rh1
CasNumber:
63223-86-9
MolecularFormula:
C36H62O9
MolecularWeight:
638.8721
MdlNumber:
MFCD09951797
Smiles:
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__