AB43498
55636-92-5 | 1-((2-(1-Hydroxyethyl)benzofuran-7-yl)oxy)-3-(isopropylamino)propan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AB43498
ChemicalName
1-((2-(1-Hydroxyethyl)benzofuran-7-yl)oxy)-3-(isopropylamino)propan-2-ol
CasNumber
55636-92-5
MolecularFormula
C16H23NO4
MolecularWeight
293.3581
MdlNumber
MFCD01660003
Smiles
OC(COc1cccc2c1oc(c2)C(O)C)CNC(C)C
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
7
UndefinedAtomStereocenterCount
2
Xlogp3
1.6
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CatalogNumber: AB43498
ChemicalName: 1-((2-(1-Hydroxyethyl)benzofuran-7-yl)oxy)-3-(isopropylamino)propan-2-ol
CasNumber: 55636-92-5
MolecularFormula: C16H23NO4
MolecularWeight: 293.3581
MdlNumber: MFCD01660003
Smiles: OC(COc1cccc2c1oc(c2)C(O)C)CNC(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.6
CatalogNumber:
AB43498
ChemicalName:
1-((2-(1-Hydroxyethyl)benzofuran-7-yl)oxy)-3-(isopropylamino)propan-2-ol
CasNumber:
55636-92-5
MolecularFormula:
C16H23NO4
MolecularWeight:
293.3581
MdlNumber:
MFCD01660003
Smiles:
OC(COc1cccc2c1oc(c2)C(O)C)CNC(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCC(=O)N.Cl
Complexity: 52.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCC(=O)N.Cl
Complexity:
52.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCCO
Complexity: 16.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCCO
Complexity:
16.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__