AA42404
1272758-31-2 | 3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Manufacturer: A2B Chem
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CatalogNumber
AA42404
ChemicalName
3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber
1272758-31-2
MolecularFormula
C13H17N3O
MolecularWeight
231.2935800000001
MdlNumber
MFCD18711604
Smiles
O=C1N(CNC21CCNCC2)c1ccccc1
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AA42404
ChemicalName: 3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber: 1272758-31-2
MolecularFormula: C13H17N3O
MolecularWeight: 231.2935800000001
MdlNumber: MFCD18711604
Smiles: O=C1N(CNC21CCNCC2)c1ccccc1
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AA42404
ChemicalName:
3-Phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CasNumber:
1272758-31-2
MolecularFormula:
C13H17N3O
MolecularWeight:
231.2935800000001
MdlNumber:
MFCD18711604
Smiles:
O=C1N(CNC21CCNCC2)c1ccccc1
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7
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MolecularFormula: __
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Smiles: CCOC(=O)C1(N)Cc2c(C1)ccc(c2)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)C1(N)Cc2c(C1)ccc(c2)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: N1CCC2(CC1)CCc1c(C2)cccc1.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N1CCC2(CC1)CCc1c(C2)cccc1.Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1CCC2(CC1)CCN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCC2(CC1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__