AB49587
356068-93-4 | 5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49587
ChemicalName
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CasNumber
356068-93-4
MolecularFormula
C16H13FN2O3
MolecularWeight
300.2844
MdlNumber
MFCD11521323
Smiles
Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)O)C)/C(=O)N2
Complexity
522
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AB49587
ChemicalName: 5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CasNumber: 356068-93-4
MolecularFormula: C16H13FN2O3
MolecularWeight: 300.2844
MdlNumber: MFCD11521323
Smiles: Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)O)C)/C(=O)N2
Complexity: 522
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB49587
ChemicalName:
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1h-pyrrole-3-carboxylic acid
CasNumber:
356068-93-4
MolecularFormula:
C16H13FN2O3
MolecularWeight:
300.2844
MdlNumber:
MFCD11521323
Smiles:
Fc1ccc2c(c1)/C(=C/c1[nH]c(c(c1C)C(=O)O)C)/C(=O)N2
Complexity:
522
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSC(=N)NN.I
Complexity: 59.8
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSC(=N)NN.I
Complexity:
59.8
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1cccc(c1)c1ccccc1
Complexity: 149
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1cccc(c1)c1ccccc1
Complexity:
149
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2