AI48881
361346-55-6 | 1-(4-Nitrophenyl)pyrrolidin-3-ol
Manufacturer: A2B Chem
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CatalogNumber
AI48881
ChemicalName
1-(4-Nitrophenyl)pyrrolidin-3-ol
CasNumber
361346-55-6
MolecularFormula
C10H12N2O3
MolecularWeight
208.2139
MdlNumber
MFCD11037806
Smiles
OC1CCN(C1)c1ccc(cc1)[N+](=O)[O-]
Complexity
233
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AI48881
ChemicalName: 1-(4-Nitrophenyl)pyrrolidin-3-ol
CasNumber: 361346-55-6
MolecularFormula: C10H12N2O3
MolecularWeight: 208.2139
MdlNumber: MFCD11037806
Smiles: OC1CCN(C1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AI48881
ChemicalName:
1-(4-Nitrophenyl)pyrrolidin-3-ol
CasNumber:
361346-55-6
MolecularFormula:
C10H12N2O3
MolecularWeight:
208.2139
MdlNumber:
MFCD11037806
Smiles:
OC1CCN(C1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: __
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Smiles: CCCNc1ncc(cn1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCCNc1ncc(cn1)[N+](=O)[O-]
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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__
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Smiles: Clc1ccc(c(c1)c1ccn(n1)C)O
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Clc1ccc(c(c1)c1ccn(n1)C)O
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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__
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Smiles: N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](C13CC4CC(C1)CC(C3)(C4)O)N)C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C[C@@H]1C[C@H]2[C@@H](N1C(=O)[C@H](C13CC4CC(C1)CC(C3)(C4)O)N)C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__