AI12049
1187890-40-9 | 3-(4-BOC-Piperazinocarbonyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI12049
ChemicalName
3-(4-BOC-Piperazinocarbonyl)benzonitrile
CasNumber
1187890-40-9
MolecularFormula
C17H21N3O3
MolecularWeight
315.3669
MdlNumber
MFCD17872843
Smiles
N#Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity
495
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AI12049
ChemicalName: 3-(4-BOC-Piperazinocarbonyl)benzonitrile
CasNumber: 1187890-40-9
MolecularFormula: C17H21N3O3
MolecularWeight: 315.3669
MdlNumber: MFCD17872843
Smiles: N#Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 495
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AI12049
ChemicalName:
3-(4-BOC-Piperazinocarbonyl)benzonitrile
CasNumber:
1187890-40-9
MolecularFormula:
C17H21N3O3
MolecularWeight:
315.3669
MdlNumber:
MFCD17872843
Smiles:
N#Cc1cccc(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
495
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)C1CCOCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc(cc1)C1CCOCC1
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: N1CCC(CC1)Oc1ccc(cc1)n1cncc1.Cl.Cl
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Smiles:
N1CCC(CC1)Oc1ccc(cc1)n1cncc1.Cl.Cl
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: CNCCC1CCCCO1.Cl
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CNCCC1CCCCO1.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__