AI56440
79016-59-4 | 1,2,3,4-Tetrahydropyrazino[2,1-a]isoindol-6(10bh)-one
Manufacturer: A2B Chem
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CatalogNumber
AI56440
ChemicalName
1,2,3,4-Tetrahydropyrazino[2,1-a]isoindol-6(10bh)-one
CasNumber
79016-59-4
MolecularFormula
C11H12N2O
MolecularWeight
188.22578000000001
MdlNumber
MFCD12198737
Smiles
O=C1c2ccccc2C2N1CCNC2
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AI56440
ChemicalName: 1,2,3,4-Tetrahydropyrazino[2,1-a]isoindol-6(10bh)-one
CasNumber: 79016-59-4
MolecularFormula: C11H12N2O
MolecularWeight: 188.22578000000001
MdlNumber: MFCD12198737
Smiles: O=C1c2ccccc2C2N1CCNC2
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AI56440
ChemicalName:
1,2,3,4-Tetrahydropyrazino[2,1-a]isoindol-6(10bh)-one
CasNumber:
79016-59-4
MolecularFormula:
C11H12N2O
MolecularWeight:
188.22578000000001
MdlNumber:
MFCD12198737
Smiles:
O=C1c2ccccc2C2N1CCNC2
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(c1ccc(cc1)Cl)C1CNC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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__
MolecularFormula:
__
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__
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Smiles:
O=C(c1ccc(cc1)Cl)C1CNC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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UndefinedAtomStereocenterCount:
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MolecularFormula: __
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Smiles: COc1cc(N)c(cc1Cl)C#N
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Xlogp3: __
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__
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Smiles:
COc1cc(N)c(cc1Cl)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: N#Cc1cccc(c1)/C=C/c1ccc(cc1)/C=C/c1ccccc1C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cccc(c1)/C=C/c1ccc(cc1)/C=C/c1ccccc1C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__