AA42886
127641-25-2 | (1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AA42886
ChemicalName
(1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
CasNumber
127641-25-2
MolecularFormula
C13H19NO
MolecularWeight
205.2961
MdlNumber
MFCD01632702
Smiles
O[C@@H]([C@@H](N1CCCC1)C)c1ccccc1
Complexity
183
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AA42886
ChemicalName: (1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
CasNumber: 127641-25-2
MolecularFormula: C13H19NO
MolecularWeight: 205.2961
MdlNumber: MFCD01632702
Smiles: O[C@@H]([C@@H](N1CCCC1)C)c1ccccc1
Complexity: 183
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AA42886
ChemicalName:
(1R,2S)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
CasNumber:
127641-25-2
MolecularFormula:
C13H19NO
MolecularWeight:
205.2961
MdlNumber:
MFCD01632702
Smiles:
O[C@@H]([C@@H](N1CCCC1)C)c1ccccc1
Complexity:
183
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
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Smiles: c1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2
Complexity: __
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Smiles:
c1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2
Complexity:
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Smiles: COP(=O)(Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)OC
Complexity: __
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Smiles:
COP(=O)(Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)OC
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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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: CO/N=C(/c1csc(n1)N)C(=O)N[C@H]1C(=O)N2[C@H]1SCC(=C2C(=O)O)COC(=O)C.NCCN(Cc1ccccc1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO/N=C(/c1csc(n1)N)C(=O)N[C@H]1C(=O)N2[C@H]1SCC(=C2C(=O)O)COC(=O)C.NCCN(Cc1ccccc1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__