AB65524
21735-63-7 | 3-Phenyl-3-(2,2,2-trifluoro-acetylamino)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65524
ChemicalName
3-Phenyl-3-(2,2,2-trifluoro-acetylamino)-propionic acid
CasNumber
21735-63-7
MolecularFormula
C11H10F3NO3
MolecularWeight
261.1972
MdlNumber
MFCD00451455
Smiles
OC(=O)CC(c1ccccc1)NC(=O)C(F)(F)F
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AB65524
ChemicalName: 3-Phenyl-3-(2,2,2-trifluoro-acetylamino)-propionic acid
CasNumber: 21735-63-7
MolecularFormula: C11H10F3NO3
MolecularWeight: 261.1972
MdlNumber: MFCD00451455
Smiles: OC(=O)CC(c1ccccc1)NC(=O)C(F)(F)F
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AB65524
ChemicalName:
3-Phenyl-3-(2,2,2-trifluoro-acetylamino)-propionic acid
CasNumber:
21735-63-7
MolecularFormula:
C11H10F3NO3
MolecularWeight:
261.1972
MdlNumber:
MFCD00451455
Smiles:
OC(=O)CC(c1ccccc1)NC(=O)C(F)(F)F
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
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Smiles: FC(C1(N=N1)c1ccccc1)(F)F
Complexity: __
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RotatableBondCount: __
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Smiles:
FC(C1(N=N1)c1ccccc1)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: c1ccc(cc1)c1cnc2n1CCNC2
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Smiles:
c1ccc(cc1)c1cnc2n1CCNC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=c1o[nH]c(c1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1o[nH]c(c1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__