AX37909
17418-58-5 | 1-Amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
Manufacturer: A2B Chem
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CatalogNumber
AX37909
ChemicalName
1-Amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
CasNumber
17418-58-5
MolecularFormula
C20H13NO4
MolecularWeight
331.3215
MdlNumber
MFCD00071826
Smiles
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
Complexity
530
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
4.5
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CatalogNumber: AX37909
ChemicalName: 1-Amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
CasNumber: 17418-58-5
MolecularFormula: C20H13NO4
MolecularWeight: 331.3215
MdlNumber: MFCD00071826
Smiles: C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
Complexity: 530
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 4.5
CatalogNumber:
AX37909
ChemicalName:
1-Amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
CasNumber:
17418-58-5
MolecularFormula:
C20H13NO4
MolecularWeight:
331.3215
MdlNumber:
MFCD00071826
Smiles:
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
Complexity:
530
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=CC=CC=C(C=CC=C(C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)O)C)C)/C=C/C=C(/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
CC(=CC=CC=C(C=CC=C(C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)O)C)C)/C=C/C=C(/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)C
Complexity:
__
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+]
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Smiles:
CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+]
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: OCCN1(=O)CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
Complexity: __
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Smiles:
OCCN1(=O)CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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