AG26185
5368-37-6 | 3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AG26185
ChemicalName
3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid
CasNumber
5368-37-6
MolecularFormula
C11H10N2O3
MolecularWeight
218.2087
MdlNumber
MFCD03955531
Smiles
OC(=O)CCc1nc2ccccc2c(=O)[nH]1
NscNumber
251919
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.1
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CatalogNumber: AG26185
ChemicalName: 3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid
CasNumber: 5368-37-6
MolecularFormula: C11H10N2O3
MolecularWeight: 218.2087
MdlNumber: MFCD03955531
Smiles: OC(=O)CCc1nc2ccccc2c(=O)[nH]1
NscNumber: 251919
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AG26185
ChemicalName:
3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid
CasNumber:
5368-37-6
MolecularFormula:
C11H10N2O3
MolecularWeight:
218.2087
MdlNumber:
MFCD03955531
Smiles:
OC(=O)CCc1nc2ccccc2c(=O)[nH]1
NscNumber:
251919
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.1
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Smiles: O=C1NCC2(O1)CCN(CC2)CCc1ccccc1O
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O=C1NCC2(O1)CCN(CC2)CCc1ccccc1O
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Smiles: CNCC[C@H](c1ccccc1)Oc1ccc(cc1C)O
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CNCC[C@H](c1ccccc1)Oc1ccc(cc1C)O
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Smiles: O=C(c1ccc(cc1)C(F)(F)F)C1CCC1
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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:
O=C(c1ccc(cc1)C(F)(F)F)C1CCC1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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