AF28582
3061-90-3 | H-Ala-phe-oh
Manufacturer: A2B Chem
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CatalogNumber
AF28582
ChemicalName
H-Ala-phe-oh
CasNumber
3061-90-3
MolecularFormula
C12H16N2O3
MolecularWeight
236.267
MdlNumber
MFCD00066031
Smiles
CC(C(=O)NC(C(=O)O)Cc1ccccc1)N
Complexity
275
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
-2.5
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CatalogNumber: AF28582
ChemicalName: H-Ala-phe-oh
CasNumber: 3061-90-3
MolecularFormula: C12H16N2O3
MolecularWeight: 236.267
MdlNumber: MFCD00066031
Smiles: CC(C(=O)NC(C(=O)O)Cc1ccccc1)N
Complexity: 275
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: -2.5
CatalogNumber:
AF28582
ChemicalName:
H-Ala-phe-oh
CasNumber:
3061-90-3
MolecularFormula:
C12H16N2O3
MolecularWeight:
236.267
MdlNumber:
MFCD00066031
Smiles:
CC(C(=O)NC(C(=O)O)Cc1ccccc1)N
Complexity:
275
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
-2.5
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Smiles: C(CCCCC(=O)O)CCCC(=O)O.C(CCCO)CCO
Complexity: __
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Smiles:
C(CCCCC(=O)O)CCCC(=O)O.C(CCCO)CCO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=c1oc2c(o1)cccc2
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1oc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__