AD67895
10603-52-8 | 1-Benzylpyrrolidine-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD67895
ChemicalName
1-Benzylpyrrolidine-3-carbonitrile
CasNumber
10603-52-8
MolecularFormula
C12H14N2
MolecularWeight
186.253
MdlNumber
MFCD05662780
Smiles
N#CC1CCN(C1)Cc1ccccc1
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AD67895
ChemicalName: 1-Benzylpyrrolidine-3-carbonitrile
CasNumber: 10603-52-8
MolecularFormula: C12H14N2
MolecularWeight: 186.253
MdlNumber: MFCD05662780
Smiles: N#CC1CCN(C1)Cc1ccccc1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AD67895
ChemicalName:
1-Benzylpyrrolidine-3-carbonitrile
CasNumber:
10603-52-8
MolecularFormula:
C12H14N2
MolecularWeight:
186.253
MdlNumber:
MFCD05662780
Smiles:
N#CC1CCN(C1)Cc1ccccc1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: s1ccc(c1)c1ccsc1c1cccs1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
s1ccc(c1)c1ccsc1c1cccs1
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Br[Mg]c1cscc1
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Smiles:
Br[Mg]c1cscc1
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__
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__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: N#Cc1cc(cc(n1)C#N)c1ccccc1
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__
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1cc(cc(n1)C#N)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__