AB48646
95233-18-4 | Atovaquone
Manufacturer: A2B Chem
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CatalogNumber
AB48646
ChemicalName
Atovaquone
CasNumber
95233-18-4
MolecularFormula
C22H19ClO3
MolecularWeight
366.8375
MdlNumber
MFCD00889188
Smiles
Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2
NscNumber
759582
Complexity
595
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
5.2
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CatalogNumber: AB48646
ChemicalName: Atovaquone
CasNumber: 95233-18-4
MolecularFormula: C22H19ClO3
MolecularWeight: 366.8375
MdlNumber: MFCD00889188
Smiles: Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2
NscNumber: 759582
Complexity: 595
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 5.2
CatalogNumber:
AB48646
ChemicalName:
Atovaquone
CasNumber:
95233-18-4
MolecularFormula:
C22H19ClO3
MolecularWeight:
366.8375
MdlNumber:
MFCD00889188
Smiles:
Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2
NscNumber:
759582
Complexity:
595
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
5.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCOC(=O)C(C)C
NscNumber: __
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCOC(=O)C(C)C
NscNumber:
__
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.6
CatalogNumber: AB48648
ChemicalName: 4-(2'-N-Boc-hydrazino)benzoic acid
CasNumber: 96736-00-4
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD00053015
Smiles: O=C(OC(C)(C)C)NNc1ccc(cc1)C(=O)O
NscNumber: __
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 2.3
CatalogNumber:
AB48648
ChemicalName:
4-(2'-N-Boc-hydrazino)benzoic acid
CasNumber:
96736-00-4
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD00053015
Smiles:
O=C(OC(C)(C)C)NNc1ccc(cc1)C(=O)O
NscNumber:
__
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(Cl)c(c(n1)Cl)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(Cl)c(c(n1)Cl)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__