AA92057
17376-63-5 | Ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA92057
ChemicalName
Ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
CasNumber
17376-63-5
MolecularFormula
C5H7N3O3
MolecularWeight
157.1274
MdlNumber
MFCD00465050
Smiles
CCOC(=O)c1nonc1N
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AA92057
ChemicalName: Ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
CasNumber: 17376-63-5
MolecularFormula: C5H7N3O3
MolecularWeight: 157.1274
MdlNumber: MFCD00465050
Smiles: CCOC(=O)c1nonc1N
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AA92057
ChemicalName:
Ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
CasNumber:
17376-63-5
MolecularFormula:
C5H7N3O3
MolecularWeight:
157.1274
MdlNumber:
MFCD00465050
Smiles:
CCOC(=O)c1nonc1N
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C=CC3=C4[C@@]5(CC[C@@]23C)CC[C@@]([C@@]4(C)O)(OC5=O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)CO[C@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O[C@H]2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C=CC3=C4[C@@]5(CC[C@@]23C)CC[C@@]([C@@]4(C)O)(OC5=O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA92060
ChemicalName: 3-Formyl-1H-indole-5-carbonitrile
CasNumber: 17380-18-6
MolecularFormula: C10H6N2O
MolecularWeight: 170.1674
MdlNumber: MFCD01719101
Smiles: O=Cc1c[nH]c2c1cc(C#N)cc2
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA92060
ChemicalName:
3-Formyl-1H-indole-5-carbonitrile
CasNumber:
17380-18-6
MolecularFormula:
C10H6N2O
MolecularWeight:
170.1674
MdlNumber:
MFCD01719101
Smiles:
O=Cc1c[nH]c2c1cc(C#N)cc2
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)c1c[nH]c2c1cccc2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)c1c[nH]c2c1cccc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__