AA44355
128781-07-7 | 5,6,7-Trimethoxy-1h-indole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA44355
ChemicalName
5,6,7-Trimethoxy-1h-indole-2-carboxylic acid
CasNumber
128781-07-7
MolecularFormula
C12H13NO5
MolecularWeight
251.23531999999997
MdlNumber
MFCD02664478
Smiles
COc1cc2cc([nH]c2c(c1OC)OC)C(=O)O
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AA44355
ChemicalName: 5,6,7-Trimethoxy-1h-indole-2-carboxylic acid
CasNumber: 128781-07-7
MolecularFormula: C12H13NO5
MolecularWeight: 251.23531999999997
MdlNumber: MFCD02664478
Smiles: COc1cc2cc([nH]c2c(c1OC)OC)C(=O)O
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AA44355
ChemicalName:
5,6,7-Trimethoxy-1h-indole-2-carboxylic acid
CasNumber:
128781-07-7
MolecularFormula:
C12H13NO5
MolecularWeight:
251.23531999999997
MdlNumber:
MFCD02664478
Smiles:
COc1cc2cc([nH]c2c(c1OC)OC)C(=O)O
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: AA44359
ChemicalName: Boc-d-4,4'-biphenylalanine
CasNumber: 128779-47-5
MolecularFormula: C20H23NO4
MolecularWeight: 341.4009
MdlNumber: MFCD00191185
Smiles: OC(=O)[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Complexity: 443
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 3.4
CatalogNumber:
AA44359
ChemicalName:
Boc-d-4,4'-biphenylalanine
CasNumber:
128779-47-5
MolecularFormula:
C20H23NO4
MolecularWeight:
341.4009
MdlNumber:
MFCD00191185
Smiles:
OC(=O)[C@@H](Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C
Complexity:
443
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
3.4
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Smiles: COC(=O)C1(Cl)SC=C(C1=O)C
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Smiles:
COC(=O)C1(Cl)SC=C(C1=O)C
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Smiles: COc1ccc(cc1)CN1CCC=CC1=O
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COc1ccc(cc1)CN1CCC=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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