AA92975
17470-24-5 | 3-(3-Pyridyl)-DL-alanine
Manufacturer: A2B Chem
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CatalogNumber
AA92975
ChemicalName
3-(3-Pyridyl)-DL-alanine
CasNumber
17470-24-5
MolecularFormula
C8H10N2O2
MolecularWeight
166.1772
MdlNumber
MFCD02259525
Smiles
OC(=O)C(Cc1cccnc1)N
NscNumber
230426
Complexity
161
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-2.5
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CatalogNumber: AA92975
ChemicalName: 3-(3-Pyridyl)-DL-alanine
CasNumber: 17470-24-5
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD02259525
Smiles: OC(=O)C(Cc1cccnc1)N
NscNumber: 230426
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.5
CatalogNumber:
AA92975
ChemicalName:
3-(3-Pyridyl)-DL-alanine
CasNumber:
17470-24-5
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD02259525
Smiles:
OC(=O)C(Cc1cccnc1)N
NscNumber:
230426
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.5
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Smiles: CC[GeH3]
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Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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CC[GeH3]
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: c1ccc(cc1)C[SiH](Cc1ccccc1)Cc1ccccc1
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Smiles:
c1ccc(cc1)C[SiH](Cc1ccccc1)Cc1ccccc1
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1ccc2c(c1)Sc1c(N2)ccc(c1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc2c(c1)Sc1c(N2)ccc(c1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__