AI50428
438026-68-7 | N-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AI50428
ChemicalName
N-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CasNumber
438026-68-7
MolecularFormula
C10H11NO3
MolecularWeight
193.1992
MdlNumber
MFCD02713088
Smiles
CNC(=O)c1ccc2c(c1)OCCO2
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.1
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CatalogNumber: AI50428
ChemicalName: N-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CasNumber: 438026-68-7
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD02713088
Smiles: CNC(=O)c1ccc2c(c1)OCCO2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AI50428
ChemicalName:
N-Methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CasNumber:
438026-68-7
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD02713088
Smiles:
CNC(=O)c1ccc2c(c1)OCCO2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AI50429
ChemicalName: 1-N-Boc-3-ethylpiperazine
CasNumber: 438049-35-5
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD07367735
Smiles: CCC1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AI50429
ChemicalName:
1-N-Boc-3-ethylpiperazine
CasNumber:
438049-35-5
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD07367735
Smiles:
CCC1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: CCCCOc1cc(F)c(c(c1)F)CO
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CCCCOc1cc(F)c(c(c1)F)CO
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Smiles: CCOc1cc(F)c(c(c1)F)CO
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Smiles:
CCOc1cc(F)c(c(c1)F)CO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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