AA37452
126653-00-7 | 1-Piperazin-1-yl-isoquinoline
Manufacturer: A2B Chem
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CatalogNumber
AA37452
ChemicalName
1-Piperazin-1-yl-isoquinoline
CasNumber
126653-00-7
MolecularFormula
C13H15N3
MolecularWeight
213.2783
MdlNumber
MFCD06738843
Smiles
N1CCN(CC1)c1nccc2c1cccc2
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AA37452
ChemicalName: 1-Piperazin-1-yl-isoquinoline
CasNumber: 126653-00-7
MolecularFormula: C13H15N3
MolecularWeight: 213.2783
MdlNumber: MFCD06738843
Smiles: N1CCN(CC1)c1nccc2c1cccc2
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AA37452
ChemicalName:
1-Piperazin-1-yl-isoquinoline
CasNumber:
126653-00-7
MolecularFormula:
C13H15N3
MolecularWeight:
213.2783
MdlNumber:
MFCD06738843
Smiles:
N1CCN(CC1)c1nccc2c1cccc2
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)[C@H](N1CCc2c([C@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)[C@H](N1CCc2c([C@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc2c1cn(n2)C1CCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc2c1cn(n2)C1CCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc2c(c1)n(nc2)C1CCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc2c(c1)n(nc2)C1CCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__