AD50681
328084-14-6 | (5-Phenyl-4h-1,2,4-triazol-3-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD50681
ChemicalName
(5-Phenyl-4h-1,2,4-triazol-3-yl)acetic acid
CasNumber
328084-14-6
MolecularFormula
C10H9N3O2
MolecularWeight
203.1974
MdlNumber
MFCD00234783
Smiles
OC(=O)Cc1nnc([nH]1)c1ccccc1
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AD50681
ChemicalName: (5-Phenyl-4h-1,2,4-triazol-3-yl)acetic acid
CasNumber: 328084-14-6
MolecularFormula: C10H9N3O2
MolecularWeight: 203.1974
MdlNumber: MFCD00234783
Smiles: OC(=O)Cc1nnc([nH]1)c1ccccc1
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AD50681
ChemicalName:
(5-Phenyl-4h-1,2,4-triazol-3-yl)acetic acid
CasNumber:
328084-14-6
MolecularFormula:
C10H9N3O2
MolecularWeight:
203.1974
MdlNumber:
MFCD00234783
Smiles:
OC(=O)Cc1nnc([nH]1)c1ccccc1
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.1
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Smiles: O=C1N(Oc2cccc(c2)C(F)(F)F)C(=O)c2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
O=C1N(Oc2cccc(c2)C(F)(F)F)C(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C1CCC(CC1)NC1CCCCC1.COc1ccc(cc1)CSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: __
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Smiles:
C1CCC(CC1)NC1CCCCC1.COc1ccc(cc1)CSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
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: CO[Si](CCCN1CCOCC1)(OC)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
CO[Si](CCCN1CCOCC1)(OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__