AD93798
859282-12-5 | (3S)-3-(Pyrrolidin-1-yl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AD93798
ChemicalName
(3S)-3-(Pyrrolidin-1-yl)pyrrolidine
CasNumber
859282-12-5
MolecularFormula
C8H16N2
MolecularWeight
140.226
MdlNumber
MFCD09608031
Smiles
C1NC[C@H](C1)N1CCCC1
Complexity
108
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AD93798
ChemicalName: (3S)-3-(Pyrrolidin-1-yl)pyrrolidine
CasNumber: 859282-12-5
MolecularFormula: C8H16N2
MolecularWeight: 140.226
MdlNumber: MFCD09608031
Smiles: C1NC[C@H](C1)N1CCCC1
Complexity: 108
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AD93798
ChemicalName:
(3S)-3-(Pyrrolidin-1-yl)pyrrolidine
CasNumber:
859282-12-5
MolecularFormula:
C8H16N2
MolecularWeight:
140.226
MdlNumber:
MFCD09608031
Smiles:
C1NC[C@H](C1)N1CCCC1
Complexity:
108
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
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Smiles: CCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
Complexity: __
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Smiles:
CCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
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Smiles: CC1COC2=C1C(=O)C(=O)c1c2cccc1O
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Smiles:
CC1COC2=C1C(=O)C(=O)c1c2cccc1O
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: S=C1Cc2c(O1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=C1Cc2c(O1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__