AD54290
1375068-89-5 | {3-[3-(Methylcarbamoyl)phenyl]phenyl}acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD54290
ChemicalName
{3-[3-(Methylcarbamoyl)phenyl]phenyl}acetic acid
CasNumber
1375068-89-5
MolecularFormula
C16H15NO3
MolecularWeight
269.2952
MdlNumber
MFCD22205794
Smiles
CNC(=O)c1cccc(c1)c1cccc(c1)CC(=O)O
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AD54290
ChemicalName: {3-[3-(Methylcarbamoyl)phenyl]phenyl}acetic acid
CasNumber: 1375068-89-5
MolecularFormula: C16H15NO3
MolecularWeight: 269.2952
MdlNumber: MFCD22205794
Smiles: CNC(=O)c1cccc(c1)c1cccc(c1)CC(=O)O
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AD54290
ChemicalName:
{3-[3-(Methylcarbamoyl)phenyl]phenyl}acetic acid
CasNumber:
1375068-89-5
MolecularFormula:
C16H15NO3
MolecularWeight:
269.2952
MdlNumber:
MFCD22205794
Smiles:
CNC(=O)c1cccc(c1)c1cccc(c1)CC(=O)O
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: AD54291
ChemicalName: Methyl 2-fluoro-4-(5-methoxypyridin-3-yl)benzoate
CasNumber: 1375068-84-0
MolecularFormula: C14H12FNO3
MolecularWeight: 261.2484
MdlNumber: MFCD22205799
Smiles: COc1cncc(c1)c1ccc(c(c1)F)C(=O)OC
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AD54291
ChemicalName:
Methyl 2-fluoro-4-(5-methoxypyridin-3-yl)benzoate
CasNumber:
1375068-84-0
MolecularFormula:
C14H12FNO3
MolecularWeight:
261.2484
MdlNumber:
MFCD22205799
Smiles:
COc1cncc(c1)c1ccc(c(c1)F)C(=O)OC
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1c(F)c(Br)cc2c1n(nn2)C1CCCCC1
Complexity: 301
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c(F)c(Br)cc2c1n(nn2)C1CCCCC1
Complexity:
301
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1c(C)cccc1N
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1c(C)cccc1N
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8