AE04007
771-51-7 | 3-Indoleacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE04007
ChemicalName
3-Indoleacetonitrile
CasNumber
771-51-7
MolecularFormula
C10H8N2
MolecularWeight
156.18392000000003
MdlNumber
MFCD00005628
Smiles
N#CCc1c[nH]c2c1cccc2
NscNumber
523272
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AE04007
ChemicalName: 3-Indoleacetonitrile
CasNumber: 771-51-7
MolecularFormula: C10H8N2
MolecularWeight: 156.18392000000003
MdlNumber: MFCD00005628
Smiles: N#CCc1c[nH]c2c1cccc2
NscNumber: 523272
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AE04007
ChemicalName:
3-Indoleacetonitrile
CasNumber:
771-51-7
MolecularFormula:
C10H8N2
MolecularWeight:
156.18392000000003
MdlNumber:
MFCD00005628
Smiles:
N#CCc1c[nH]c2c1cccc2
NscNumber:
523272
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
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Smiles: Clc1cc(Cl)n2c(n1)c(cn2)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1cc(Cl)n2c(n1)c(cn2)C(C)C
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Smiles: Fc1ccc(cc1)CCS(=O)(=O)O
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Smiles:
Fc1ccc(cc1)CCS(=O)(=O)O
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RotatableBondCount:
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Smiles: OCc1cc(N)cc(c1)O
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCc1cc(N)cc(c1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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