AC77545
6948-88-5 | Alpha-naphtholbenzein
Manufacturer: A2B Chem
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CatalogNumber
AC77545
ChemicalName
Alpha-naphtholbenzein
CasNumber
6948-88-5
MolecularFormula
C27H20O3
MolecularWeight
392.4459
MdlNumber
MFCD00003979
Smiles
Oc1ccc(c2c1cccc2)C(c1ccc(c2c1cccc2)O)(c1ccccc1)O
NscNumber
68055
Complexity
533
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
6
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CatalogNumber: AC77545
ChemicalName: Alpha-naphtholbenzein
CasNumber: 6948-88-5
MolecularFormula: C27H20O3
MolecularWeight: 392.4459
MdlNumber: MFCD00003979
Smiles: Oc1ccc(c2c1cccc2)C(c1ccc(c2c1cccc2)O)(c1ccccc1)O
NscNumber: 68055
Complexity: 533
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 6
CatalogNumber:
AC77545
ChemicalName:
Alpha-naphtholbenzein
CasNumber:
6948-88-5
MolecularFormula:
C27H20O3
MolecularWeight:
392.4459
MdlNumber:
MFCD00003979
Smiles:
Oc1ccc(c2c1cccc2)C(c1ccc(c2c1cccc2)O)(c1ccccc1)O
NscNumber:
68055
Complexity:
533
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
6
CatalogNumber: __
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Smiles: COc1ccc(cc1)c1nnc2n1c1ccc3c(c1s2)cccc3
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc(cc1)c1nnc2n1c1ccc3c(c1s2)cccc3
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: NC(=O)c1ccc(c2c1cccc2)Cl
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC(=O)c1ccc(c2c1cccc2)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCC(n1c([O-])nc(c(c1=O)Br)C)C.[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCC(n1c([O-])nc(c(c1=O)Br)C)C.[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__