AB19599
20984-63-8 | 3-(Methyl(phenyl)amino)pyrrolidine-1-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AB19599
ChemicalName
3-(Methyl(phenyl)amino)pyrrolidine-1-carboxamide
CasNumber
20984-63-8
MolecularFormula
C12H17N3O
MolecularWeight
219.2829
MdlNumber
MFCD01688198
Smiles
NC(=O)N1CCC(C1)N(c1ccccc1)C
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AB19599
ChemicalName: 3-(Methyl(phenyl)amino)pyrrolidine-1-carboxamide
CasNumber: 20984-63-8
MolecularFormula: C12H17N3O
MolecularWeight: 219.2829
MdlNumber: MFCD01688198
Smiles: NC(=O)N1CCC(C1)N(c1ccccc1)C
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AB19599
ChemicalName:
3-(Methyl(phenyl)amino)pyrrolidine-1-carboxamide
CasNumber:
20984-63-8
MolecularFormula:
C12H17N3O
MolecularWeight:
219.2829
MdlNumber:
MFCD01688198
Smiles:
NC(=O)N1CCC(C1)N(c1ccccc1)C
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: Cc1cc2cccnc2c(c1)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Cc1cc2cccnc2c(c1)O
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-]
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Smiles:
Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: [O-][N+](=O)c1ccc(cc1)Nc1cccc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1)Nc1cccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__