AD55705
268219-99-4 | 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
Manufacturer: A2B Chem
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CatalogNumber
AD55705
ChemicalName
3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
CasNumber
268219-99-4
MolecularFormula
C13H18O3S
MolecularWeight
254.3452
MdlNumber
MFCD00237153
Smiles
COc1ccc(cc1)CSC(CC(=O)O)(C)C
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.5
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CatalogNumber: AD55705
ChemicalName: 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
CasNumber: 268219-99-4
MolecularFormula: C13H18O3S
MolecularWeight: 254.3452
MdlNumber: MFCD00237153
Smiles: COc1ccc(cc1)CSC(CC(=O)O)(C)C
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.5
CatalogNumber:
AD55705
ChemicalName:
3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
CasNumber:
268219-99-4
MolecularFormula:
C13H18O3S
MolecularWeight:
254.3452
MdlNumber:
MFCD00237153
Smiles:
COc1ccc(cc1)CSC(CC(=O)O)(C)C
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=Cc1ccc(cc1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=Cc1ccc(cc1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD55710
ChemicalName: 3-Nitro-2-(pyrrolidin-1-yl)pyridine
CasNumber: 26820-73-5
MolecularFormula: C9H11N3O2
MolecularWeight: 193.2025
MdlNumber: MFCD03001300
Smiles: [O-][N+](=O)c1cccnc1N1CCCC1
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AD55710
ChemicalName:
3-Nitro-2-(pyrrolidin-1-yl)pyridine
CasNumber:
26820-73-5
MolecularFormula:
C9H11N3O2
MolecularWeight:
193.2025
MdlNumber:
MFCD03001300
Smiles:
[O-][N+](=O)c1cccnc1N1CCCC1
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.6