AB58798
4727-31-5 | Kartogenin
Manufacturer: A2B Chem
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CatalogNumber
AB58798
ChemicalName
Kartogenin
CasNumber
4727-31-5
MolecularFormula
C20H15NO3
MolecularWeight
317.338
MdlNumber
MFCD00560510
Smiles
O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)c1ccccc1
Complexity
436
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
4.2
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CatalogNumber: AB58798
ChemicalName: Kartogenin
CasNumber: 4727-31-5
MolecularFormula: C20H15NO3
MolecularWeight: 317.338
MdlNumber: MFCD00560510
Smiles: O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)c1ccccc1
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 4.2
CatalogNumber:
AB58798
ChemicalName:
Kartogenin
CasNumber:
4727-31-5
MolecularFormula:
C20H15NO3
MolecularWeight:
317.338
MdlNumber:
MFCD00560510
Smiles:
O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)c1ccccc1
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1ccc(s1)c1cccs1
Complexity: 332
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(s1)c1cccs1
Complexity:
332
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)NC(=C1C(=O)CC(CC1=O)(C)C)CC(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)NC(=C1C(=O)CC(CC1=O)(C)C)CC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB58801
ChemicalName: 1-(4-Chlorophenyl)vinylboronic acid, pinacol ester
CasNumber: 850567-54-3
MolecularFormula: C14H18BClO2
MolecularWeight: 264.5555
MdlNumber: MFCD06659924
Smiles: C=C(c1ccc(cc1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB58801
ChemicalName:
1-(4-Chlorophenyl)vinylboronic acid, pinacol ester
CasNumber:
850567-54-3
MolecularFormula:
C14H18BClO2
MolecularWeight:
264.5555
MdlNumber:
MFCD06659924
Smiles:
C=C(c1ccc(cc1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__