AI08690
111406-87-2 | 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
Manufacturer: A2B Chem
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CatalogNumber
AI08690
ChemicalName
1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CasNumber
111406-87-2
MolecularFormula
C11H12N2O2S
MolecularWeight
236.2902
MdlNumber
MFCD00866097
Smiles
ON(C(c1cc2c(s1)cccc2)C)C(=O)N
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AI08690
ChemicalName: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CasNumber: 111406-87-2
MolecularFormula: C11H12N2O2S
MolecularWeight: 236.2902
MdlNumber: MFCD00866097
Smiles: ON(C(c1cc2c(s1)cccc2)C)C(=O)N
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AI08690
ChemicalName:
1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CasNumber:
111406-87-2
MolecularFormula:
C11H12N2O2S
MolecularWeight:
236.2902
MdlNumber:
MFCD00866097
Smiles:
ON(C(c1cc2c(s1)cccc2)C)C(=O)N
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: C1CNC(CO1)c1cccs1
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
C1CNC(CO1)c1cccs1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: COc1cc(ccc1OC)C(=O)N1CCSC1=S
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(ccc1OC)C(=O)N1CCSC1=S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc2c1nccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc2c1nccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__