AD36691
1168-87-2 | Z-Ala-onp
Manufacturer: A2B Chem
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CatalogNumber
AD36691
ChemicalName
Z-Ala-onp
CasNumber
1168-87-2
MolecularFormula
C17H16N2O6
MolecularWeight
344.3187
MdlNumber
MFCD00038118
Smiles
C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1
Complexity
464
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3.1
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CatalogNumber: AD36691
ChemicalName: Z-Ala-onp
CasNumber: 1168-87-2
MolecularFormula: C17H16N2O6
MolecularWeight: 344.3187
MdlNumber: MFCD00038118
Smiles: C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1
Complexity: 464
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3.1
CatalogNumber:
AD36691
ChemicalName:
Z-Ala-onp
CasNumber:
1168-87-2
MolecularFormula:
C17H16N2O6
MolecularWeight:
344.3187
MdlNumber:
MFCD00038118
Smiles:
C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OCc1ccccc1
Complexity:
464
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: OCC1CCCN(C1)c1ncc(cn1)Br
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
OCC1CCCN(C1)c1ncc(cn1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: [2H]C(C(Oc1ccc2c(c1)oc(=O)cc2)([2H])[2H])([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[2H]C(C(Oc1ccc2c(c1)oc(=O)cc2)([2H])[2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)C(=O)c1cscc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)C(=O)c1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__