AA10944
113438-59-8 | Methyl 3-(cyanomethyl)-1H-indole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA10944
ChemicalName
Methyl 3-(cyanomethyl)-1H-indole-5-carboxylate
CasNumber
113438-59-8
MolecularFormula
C12H10N2O2
MolecularWeight
214.22
MdlNumber
MFCD09954797
Smiles
N#CCc1c[nH]c2c1cc(cc2)C(=O)OC
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AA10944
ChemicalName: Methyl 3-(cyanomethyl)-1H-indole-5-carboxylate
CasNumber: 113438-59-8
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD09954797
Smiles: N#CCc1c[nH]c2c1cc(cc2)C(=O)OC
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AA10944
ChemicalName:
Methyl 3-(cyanomethyl)-1H-indole-5-carboxylate
CasNumber:
113438-59-8
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD09954797
Smiles:
N#CCc1c[nH]c2c1cc(cc2)C(=O)OC
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: NOCCNC(=O)OCc1ccccc1.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NOCCNC(=O)OCc1ccccc1.Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=CC(C(=O)OC(C)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
O=CC(C(=O)OC(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=c1[nH]nc(c2c1cccc2)c1ccc(cc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=c1[nH]nc(c2c1cccc2)c1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__