AA11619
1136-45-4 | 5-Methyl-3-phenylisoxazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA11619
ChemicalName
5-Methyl-3-phenylisoxazole-4-carboxylic acid
CasNumber
1136-45-4
MolecularFormula
C11H9NO3
MolecularWeight
203.1941
MdlNumber
MFCD00003153
Smiles
OC(=O)c1c(C)onc1c1ccccc1
NscNumber
76870
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AA11619
ChemicalName: 5-Methyl-3-phenylisoxazole-4-carboxylic acid
CasNumber: 1136-45-4
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD00003153
Smiles: OC(=O)c1c(C)onc1c1ccccc1
NscNumber: 76870
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA11619
ChemicalName:
5-Methyl-3-phenylisoxazole-4-carboxylic acid
CasNumber:
1136-45-4
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD00003153
Smiles:
OC(=O)c1c(C)onc1c1ccccc1
NscNumber:
76870
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
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Smiles: F/C(=C(C(C(F)(F)F)(F)F)/F)/I
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Smiles:
F/C(=C(C(C(F)(F)F)(F)F)/F)/I
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Complexity:
__
Covalently-bondedUnitCount:
__
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__
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Smiles: NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CC(=O)N
NscNumber: __
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Smiles:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CC(=O)N
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1ccc2c(c1)[nH]c(n2)c1ccc(o1)[N+](=O)[O-]
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ccc2c(c1)[nH]c(n2)c1ccc(o1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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