AA55910
1224844-38-5 | Ink-128
Manufacturer: A2B Chem
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CatalogNumber
AA55910
ChemicalName
Ink-128
CasNumber
1224844-38-5
MolecularFormula
C15H15N7O
MolecularWeight
309.3259
MdlNumber
MFCD22124893
Smiles
Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C
Complexity
436
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AA55910
ChemicalName: Ink-128
CasNumber: 1224844-38-5
MolecularFormula: C15H15N7O
MolecularWeight: 309.3259
MdlNumber: MFCD22124893
Smiles: Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AA55910
ChemicalName:
Ink-128
CasNumber:
1224844-38-5
MolecularFormula:
C15H15N7O
MolecularWeight:
309.3259
MdlNumber:
MFCD22124893
Smiles:
Nc1oc2c(n1)cc(cc2)c1nn(c2c1c(N)ncn2)C(C)C
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1cccc(c1)c1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1cccc(c1)c1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA55912
ChemicalName: {3-[3-(trifluoromethyl)phenyl]phenyl}acetic acid
CasNumber: 1224742-15-7
MolecularFormula: C15H11F3O2
MolecularWeight: 280.2418
MdlNumber: MFCD05980213
Smiles: OC(=O)Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AA55912
ChemicalName:
{3-[3-(trifluoromethyl)phenyl]phenyl}acetic acid
CasNumber:
1224742-15-7
MolecularFormula:
C15H11F3O2
MolecularWeight:
280.2418
MdlNumber:
MFCD05980213
Smiles:
OC(=O)Cc1cccc(c1)c1cccc(c1)C(F)(F)F
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(c(c1)C)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(c(c1)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__