AG20265
543713-43-5 | 1-(3-Pyridin-3-ylisoxazol-5-yl)methanamine
Manufacturer: A2B Chem
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CatalogNumber
AG20265
ChemicalName
1-(3-Pyridin-3-ylisoxazol-5-yl)methanamine
CasNumber
543713-43-5
MolecularFormula
C9H9N3O
MolecularWeight
175.1873
MdlNumber
MFCD08059814
Smiles
NCc1onc(c1)c1cccnc1
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AG20265
ChemicalName: 1-(3-Pyridin-3-ylisoxazol-5-yl)methanamine
CasNumber: 543713-43-5
MolecularFormula: C9H9N3O
MolecularWeight: 175.1873
MdlNumber: MFCD08059814
Smiles: NCc1onc(c1)c1cccnc1
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AG20265
ChemicalName:
1-(3-Pyridin-3-ylisoxazol-5-yl)methanamine
CasNumber:
543713-43-5
MolecularFormula:
C9H9N3O
MolecularWeight:
175.1873
MdlNumber:
MFCD08059814
Smiles:
NCc1onc(c1)c1cccnc1
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: ClC(=C(C(=O)O)NC(=O)c1ccccc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
ClC(=C(C(=O)O)NC(=O)c1ccccc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: Clc1ccc(cc1)CNC1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
Clc1ccc(cc1)CNC1CCCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(NCC(=O)C12CC3CC(C2)CC(C1)C3)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NCC(=O)C12CC3CC(C2)CC(C1)C3)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__