AG80561
64996-15-2 | (8-Benzyl-1,4-dioxa-8-aza-spiro[4.5]dec-6-yl)-methanol
Manufacturer: A2B Chem
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CatalogNumber
AG80561
ChemicalName
(8-Benzyl-1,4-dioxa-8-aza-spiro[4.5]dec-6-yl)-methanol
CasNumber
64996-15-2
MolecularFormula
C15H21NO3
MolecularWeight
263.3321
MdlNumber
MFCD00183312
Smiles
OCC1CN(CCC21OCCO2)Cc1ccccc1
Complexity
285
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AG80561
ChemicalName: (8-Benzyl-1,4-dioxa-8-aza-spiro[4.5]dec-6-yl)-methanol
CasNumber: 64996-15-2
MolecularFormula: C15H21NO3
MolecularWeight: 263.3321
MdlNumber: MFCD00183312
Smiles: OCC1CN(CCC21OCCO2)Cc1ccccc1
Complexity: 285
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AG80561
ChemicalName:
(8-Benzyl-1,4-dioxa-8-aza-spiro[4.5]dec-6-yl)-methanol
CasNumber:
64996-15-2
MolecularFormula:
C15H21NO3
MolecularWeight:
263.3321
MdlNumber:
MFCD00183312
Smiles:
OCC1CN(CCC21OCCO2)Cc1ccccc1
Complexity:
285
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
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Smiles: COC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2
Complexity: __
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Smiles:
COC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2
Complexity:
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Smiles: C1=CC=C(C=C1)C2=CC=CC=C2I
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Smiles:
C1=CC=C(C=C1)C2=CC=CC=C2I
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCSc1ccc(cc1)C
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UndefinedAtomStereocenterCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCSc1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__