AD32629
187669-60-9 | 1-[4-(Methylsulfonyl)phenyl]piperazine
Manufacturer: A2B Chem
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CatalogNumber
AD32629
ChemicalName
1-[4-(Methylsulfonyl)phenyl]piperazine
CasNumber
187669-60-9
MolecularFormula
C11H16N2O2S
MolecularWeight
240.32194000000007
MdlNumber
MFCD03648601
Smiles
CS(=O)(=O)c1ccc(cc1)N1CCNCC1
Complexity
309
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AD32629
ChemicalName: 1-[4-(Methylsulfonyl)phenyl]piperazine
CasNumber: 187669-60-9
MolecularFormula: C11H16N2O2S
MolecularWeight: 240.32194000000007
MdlNumber: MFCD03648601
Smiles: CS(=O)(=O)c1ccc(cc1)N1CCNCC1
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AD32629
ChemicalName:
1-[4-(Methylsulfonyl)phenyl]piperazine
CasNumber:
187669-60-9
MolecularFormula:
C11H16N2O2S
MolecularWeight:
240.32194000000007
MdlNumber:
MFCD03648601
Smiles:
CS(=O)(=O)c1ccc(cc1)N1CCNCC1
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc(cc1)C(=O)Cc1ccccc1F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc(cc1)C(=O)Cc1ccccc1F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD32632
ChemicalName: 5-Nitrobenzofuran
CasNumber: 18761-31-4
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD00456542
Smiles: [O-][N+](=O)c1ccc2c(c1)cco2
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AD32632
ChemicalName:
5-Nitrobenzofuran
CasNumber:
18761-31-4
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD00456542
Smiles:
[O-][N+](=O)c1ccc2c(c1)cco2
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N=NC1C(=O)N(C)C(=O)N(C1=O)c1cccc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)[N+](=O)[O-])N=NC1C(=O)N(C)C(=O)N(C1=O)c1cccc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__