AB51682
584-85-0 | Anserine
Manufacturer: A2B Chem
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CatalogNumber
AB51682
ChemicalName
Anserine
CasNumber
584-85-0
MolecularFormula
C10H16N4O3
MolecularWeight
240.259
MdlNumber
MFCD11040910
Smiles
NCCC(=O)N[C@H](C(=O)O)Cc1cncn1C
Complexity
285
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
-4
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CatalogNumber: AB51682
ChemicalName: Anserine
CasNumber: 584-85-0
MolecularFormula: C10H16N4O3
MolecularWeight: 240.259
MdlNumber: MFCD11040910
Smiles: NCCC(=O)N[C@H](C(=O)O)Cc1cncn1C
Complexity: 285
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: -4
CatalogNumber:
AB51682
ChemicalName:
Anserine
CasNumber:
584-85-0
MolecularFormula:
C10H16N4O3
MolecularWeight:
240.259
MdlNumber:
MFCD11040910
Smiles:
NCCC(=O)N[C@H](C(=O)O)Cc1cncn1C
Complexity:
285
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
-4
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1cc(OC)cc(c1/C=C/S(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1cc(OC)cc(c1/C=C/S(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)NCCCC[C@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)NCCCC[C@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__