AB73365
476-66-4 | Ellagic acid
Manufacturer: A2B Chem
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CatalogNumber
AB73365
ChemicalName
Ellagic acid
CasNumber
476-66-4
MolecularFormula
C14H6O8
MolecularWeight
302.1926
MdlNumber
MFCD00149494
Smiles
Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O
Complexity
475
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
4
Xlogp3
1.1
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CatalogNumber: AB73365
ChemicalName: Ellagic acid
CasNumber: 476-66-4
MolecularFormula: C14H6O8
MolecularWeight: 302.1926
MdlNumber: MFCD00149494
Smiles: Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O
Complexity: 475
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 4
Xlogp3: 1.1
CatalogNumber:
AB73365
ChemicalName:
Ellagic acid
CasNumber:
476-66-4
MolecularFormula:
C14H6O8
MolecularWeight:
302.1926
MdlNumber:
MFCD00149494
Smiles:
Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O
Complexity:
475
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
4
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C
Complexity: 702
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 5.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C
Complexity:
702
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
5.3
CatalogNumber: AB73368
ChemicalName: Enalaprilat dihydrate
CasNumber: 84680-54-6
MolecularFormula: C18H28N2O7
MolecularWeight: 384.4241
MdlNumber: MFCD00941393
Smiles: OC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1.O.O
Complexity: 490
Covalently-bondedUnitCount: 3
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 5
Xlogp3: __
CatalogNumber:
AB73368
ChemicalName:
Enalaprilat dihydrate
CasNumber:
84680-54-6
MolecularFormula:
C18H28N2O7
MolecularWeight:
384.4241
MdlNumber:
MFCD00941393
Smiles:
OC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1.O.O
Complexity:
490
Covalently-bondedUnitCount:
3
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCC(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__