AI05443
1018266-14-2 | 3-(Butylcarbamoyl)phenoxyacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI05443
ChemicalName
3-(Butylcarbamoyl)phenoxyacetic acid
CasNumber
1018266-14-2
MolecularFormula
C13H17NO4
MolecularWeight
251.2784
MdlNumber
MFCD10027954
Smiles
CCCCNC(=O)c1cccc(c1)OCC(=O)O
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.1
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CatalogNumber: AI05443
ChemicalName: 3-(Butylcarbamoyl)phenoxyacetic acid
CasNumber: 1018266-14-2
MolecularFormula: C13H17NO4
MolecularWeight: 251.2784
MdlNumber: MFCD10027954
Smiles: CCCCNC(=O)c1cccc(c1)OCC(=O)O
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.1
CatalogNumber:
AI05443
ChemicalName:
3-(Butylcarbamoyl)phenoxyacetic acid
CasNumber:
1018266-14-2
MolecularFormula:
C13H17NO4
MolecularWeight:
251.2784
MdlNumber:
MFCD10027954
Smiles:
CCCCNC(=O)c1cccc(c1)OCC(=O)O
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.1
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Smiles: COc1ccc(cc1)OCCNC(=O)c1ccccc1N
Complexity: __
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RotatableBondCount: __
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Smiles:
COc1ccc(cc1)OCCNC(=O)c1ccccc1N
Complexity:
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Smiles: C1COCCN1CC2=CNC3=C2C=C(C=C3)C#N
Complexity: __
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Smiles:
C1COCCN1CC2=CNC3=C2C=C(C=C3)C#N
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: O=C(N[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(N[C@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__