AG20863
476310-60-8 | VO-Ohpic trihydrate
Manufacturer: A2B Chem
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CatalogNumber
AG20863
ChemicalName
VO-Ohpic trihydrate
CasNumber
476310-60-8
MolecularFormula
C12H15N2O11V
MolecularWeight
415.20373999999987
MdlNumber
MFCD11045907
Smiles
O=C1[O-][V+2]2(=O)([N]3=C1C(=CC=C3)O)([OH2])[O-]C(=O)c1c([O-]2)cccn1.[H+].O.O.O
Complexity
358
Covalently-bondedUnitCount
6
HeavyAtomCount
25
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
7
RotatableBondCount
1
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CatalogNumber: AG20863
ChemicalName: VO-Ohpic trihydrate
CasNumber: 476310-60-8
MolecularFormula: C12H15N2O11V
MolecularWeight: 415.20373999999987
MdlNumber: MFCD11045907
Smiles: O=C1[O-][V+2]2(=O)([N]3=C1C(=CC=C3)O)([OH2])[O-]C(=O)c1c([O-]2)cccn1.[H+].O.O.O
Complexity: 358
Covalently-bondedUnitCount: 6
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 7
RotatableBondCount: 1
CatalogNumber:
AG20863
ChemicalName:
VO-Ohpic trihydrate
CasNumber:
476310-60-8
MolecularFormula:
C12H15N2O11V
MolecularWeight:
415.20373999999987
MdlNumber:
MFCD11045907
Smiles:
O=C1[O-][V+2]2(=O)([N]3=C1C(=CC=C3)O)([OH2])[O-]C(=O)c1c([O-]2)cccn1.[H+].O.O.O
Complexity:
358
Covalently-bondedUnitCount:
6
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
7
RotatableBondCount:
1
CatalogNumber: __
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Smiles: Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
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Smiles:
Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
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Smiles: CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F
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CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1F)F
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Smiles: OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2
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Smiles:
OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2
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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