AB39181
30299-08-2 | Clinofibrate
Manufacturer: A2B Chem
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CatalogNumber
AB39181
ChemicalName
Clinofibrate
CasNumber
30299-08-2
MolecularFormula
C28H36O6
MolecularWeight
468.5818
MdlNumber
MFCD00865769
Smiles
CCC(C(=O)O)(Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(C(=O)O)(CC)C)C
Complexity
633
Covalently-bondedUnitCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
10
UndefinedAtomStereocenterCount
2
Xlogp3
7.5
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CatalogNumber: AB39181
ChemicalName: Clinofibrate
CasNumber: 30299-08-2
MolecularFormula: C28H36O6
MolecularWeight: 468.5818
MdlNumber: MFCD00865769
Smiles: CCC(C(=O)O)(Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(C(=O)O)(CC)C)C
Complexity: 633
Covalently-bondedUnitCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 2
Xlogp3: 7.5
CatalogNumber:
AB39181
ChemicalName:
Clinofibrate
CasNumber:
30299-08-2
MolecularFormula:
C28H36O6
MolecularWeight:
468.5818
MdlNumber:
MFCD00865769
Smiles:
CCC(C(=O)O)(Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)OC(C(=O)O)(CC)C)C
Complexity:
633
Covalently-bondedUnitCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
2
Xlogp3:
7.5
CatalogNumber: __
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Smiles: CC(Nc1cc(Cl)nc(n1)Cl)C
Complexity: __
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Smiles:
CC(Nc1cc(Cl)nc(n1)Cl)C
Complexity:
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Smiles: CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
Complexity: __
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Smiles:
CCCCCCCCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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MdlNumber: __
Smiles: CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C(=CC(=O)C2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C(=CC(=O)C2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__