AB20401
21091-98-5 | (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
Manufacturer: A2B Chem
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CatalogNumber
AB20401
ChemicalName
(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
CasNumber
21091-98-5
MolecularFormula
C12H15N3O3
MolecularWeight
249.2658
MdlNumber
MFCD00585638
Smiles
CN1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB20401
ChemicalName: (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
CasNumber: 21091-98-5
MolecularFormula: C12H15N3O3
MolecularWeight: 249.2658
MdlNumber: MFCD00585638
Smiles: CN1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB20401
ChemicalName:
(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone
CasNumber:
21091-98-5
MolecularFormula:
C12H15N3O3
MolecularWeight:
249.2658
MdlNumber:
MFCD00585638
Smiles:
CN1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
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Smiles: COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CN1CCCN(CC1)N
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Smiles:
CN1CCCN(CC1)N
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n1cc(C)c(=O)[nH]c1=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)n1cc(C)c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__