AA62947
14070-48-5 | N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)acetamide
Manufacturer: A2B Chem
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CatalogNumber
AA62947
ChemicalName
N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)acetamide
CasNumber
14070-48-5
MolecularFormula
C9H9N5OS
MolecularWeight
235.2657
MdlNumber
MFCD00603728
Smiles
CC(=O)Nc1cccc(c1)n1[nH]nnc1=S
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AA62947
ChemicalName: N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)acetamide
CasNumber: 14070-48-5
MolecularFormula: C9H9N5OS
MolecularWeight: 235.2657
MdlNumber: MFCD00603728
Smiles: CC(=O)Nc1cccc(c1)n1[nH]nnc1=S
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA62947
ChemicalName:
N-(3-(5-Mercapto-1H-tetrazol-1-yl)phenyl)acetamide
CasNumber:
14070-48-5
MolecularFormula:
C9H9N5OS
MolecularWeight:
235.2657
MdlNumber:
MFCD00603728
Smiles:
CC(=O)Nc1cccc(c1)n1[nH]nnc1=S
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
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Smiles: COc1ccccc1c1cc2c(s1)c(C#N)nc(n2)Cl
Complexity: __
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Smiles:
COc1ccccc1c1cc2c(s1)c(C#N)nc(n2)Cl
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)NC1=C(C(=O)C1=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: __
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Smiles:
CCC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)NC1=C(C(=O)C1=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Nc1ncccc1n1cncc1
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Xlogp3: __
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Smiles:
Nc1ncccc1n1cncc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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