AI65979
99857-37-1 | 5-Oxo-1-phenylpyrrolidine-3-carbohydrazide
Manufacturer: A2B Chem
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CatalogNumber
AI65979
ChemicalName
5-Oxo-1-phenylpyrrolidine-3-carbohydrazide
CasNumber
99857-37-1
MolecularFormula
C11H13N3O2
MolecularWeight
219.2398
MdlNumber
MFCD04225488
Smiles
NNC(=O)C1CN(C(=O)C1)c1ccccc1
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AI65979
ChemicalName: 5-Oxo-1-phenylpyrrolidine-3-carbohydrazide
CasNumber: 99857-37-1
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD04225488
Smiles: NNC(=O)C1CN(C(=O)C1)c1ccccc1
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AI65979
ChemicalName:
5-Oxo-1-phenylpyrrolidine-3-carbohydrazide
CasNumber:
99857-37-1
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD04225488
Smiles:
NNC(=O)C1CN(C(=O)C1)c1ccccc1
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
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MolecularFormula: __
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Smiles: COC(CNC1CCCCC1)OC
Complexity: __
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RotatableBondCount: __
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Smiles:
COC(CNC1CCCCC1)OC
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HydrogenBondDonorCount:
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Smiles: CCc1cc(O)ccc1Br
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Smiles:
CCc1cc(O)ccc1Br
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC1OCC(C(C1O)O)O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC1OCC(C(C1O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__