AB78399
94-53-1 | Piperonylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB78399
ChemicalName
Piperonylic acid
CasNumber
94-53-1
MolecularFormula
C8H6O4
MolecularWeight
166.13084000000003
MdlNumber
MFCD00005830
Smiles
OC(=O)c1ccc2c(c1)OCO2
NscNumber
10072
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AB78399
ChemicalName: Piperonylic acid
CasNumber: 94-53-1
MolecularFormula: C8H6O4
MolecularWeight: 166.13084000000003
MdlNumber: MFCD00005830
Smiles: OC(=O)c1ccc2c(c1)OCO2
NscNumber: 10072
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB78399
ChemicalName:
Piperonylic acid
CasNumber:
94-53-1
MolecularFormula:
C8H6O4
MolecularWeight:
166.13084000000003
MdlNumber:
MFCD00005830
Smiles:
OC(=O)c1ccc2c(c1)OCO2
NscNumber:
10072
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AB78400
ChemicalName: Pitolisant
CasNumber: 362665-56-3
MolecularFormula: C17H26ClNO
MolecularWeight: 295.8474
MdlNumber: MFCD18782650
Smiles: Clc1ccc(cc1)CCCOCCCN1CCCCC1
NscNumber: __
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 8
Xlogp3: 4.3
CatalogNumber:
AB78400
ChemicalName:
Pitolisant
CasNumber:
362665-56-3
MolecularFormula:
C17H26ClNO
MolecularWeight:
295.8474
MdlNumber:
MFCD18782650
Smiles:
Clc1ccc(cc1)CCCOCCCN1CCCCC1
NscNumber:
__
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
8
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCC(=O)C(C)(C)C
NscNumber: __
Complexity: 156
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCC(=O)C(C)(C)C
NscNumber:
__
Complexity:
156
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: AB78402
ChemicalName: Pk14105
CasNumber: 107257-28-3
MolecularFormula: C21H20FN3O3
MolecularWeight: 381.4002
MdlNumber: MFCD28969041
Smiles: CCC(N(C(=O)c1cc2ccccc2c(n1)c1cc(ccc1F)[N+](=O)[O-])C)C
NscNumber: __
Complexity: 570
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 4.8
CatalogNumber:
AB78402
ChemicalName:
Pk14105
CasNumber:
107257-28-3
MolecularFormula:
C21H20FN3O3
MolecularWeight:
381.4002
MdlNumber:
MFCD28969041
Smiles:
CCC(N(C(=O)c1cc2ccccc2c(n1)c1cc(ccc1F)[N+](=O)[O-])C)C
NscNumber:
__
Complexity:
570
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
4.8