AA30238
125313-92-0 | 3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AA30238
ChemicalName
3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CasNumber
125313-92-0
MolecularFormula
C22H16N4O4
MolecularWeight
400.38684
MdlNumber
MFCD28122814
Smiles
O=C1NC(=O)C(=C1c1cn(c2c1ccc(c2)N(=O)=O)C)c1cn(c2c1cccc2)C
Complexity
805
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AA30238
ChemicalName: 3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CasNumber: 125313-92-0
MolecularFormula: C22H16N4O4
MolecularWeight: 400.38684
MdlNumber: MFCD28122814
Smiles: O=C1NC(=O)C(=C1c1cn(c2c1ccc(c2)N(=O)=O)C)c1cn(c2c1cccc2)C
Complexity: 805
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA30238
ChemicalName:
3-(1-Methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CasNumber:
125313-92-0
MolecularFormula:
C22H16N4O4
MolecularWeight:
400.38684
MdlNumber:
MFCD28122814
Smiles:
O=C1NC(=O)C(=C1c1cn(c2c1ccc(c2)N(=O)=O)C)c1cn(c2c1cccc2)C
Complexity:
805
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: NCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C
Complexity: __
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Smiles:
NCCCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1cnc(c(c1)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cnc(c(c1)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__