AI45940
25629-32-7 | (3-Oxo-1-piperazinyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI45940
ChemicalName
(3-Oxo-1-piperazinyl)acetic acid
CasNumber
25629-32-7
MolecularFormula
C6H10N2O3
MolecularWeight
158.1552
MdlNumber
MFCD06653413
Smiles
OC(=O)CN1CCNC(=O)C1
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-3.3
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CatalogNumber: AI45940
ChemicalName: (3-Oxo-1-piperazinyl)acetic acid
CasNumber: 25629-32-7
MolecularFormula: C6H10N2O3
MolecularWeight: 158.1552
MdlNumber: MFCD06653413
Smiles: OC(=O)CN1CCNC(=O)C1
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -3.3
CatalogNumber:
AI45940
ChemicalName:
(3-Oxo-1-piperazinyl)acetic acid
CasNumber:
25629-32-7
MolecularFormula:
C6H10N2O3
MolecularWeight:
158.1552
MdlNumber:
MFCD06653413
Smiles:
OC(=O)CN1CCNC(=O)C1
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-3.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: Clc1ccc(c(c1)Cl)OC(=O)c1sc(c(c1)c1ccccc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc(c(c1)Cl)OC(=O)c1sc(c(c1)c1ccccc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(c1cc(c(s1)C(F)(F)F)c1ccccc1)Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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ChemicalName:
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MolecularFormula:
__
MolecularWeight:
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Smiles:
O=C(c1cc(c(s1)C(F)(F)F)c1ccccc1)Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)OC(=O)c1sc(c(c1)c1ccccc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)OC(=O)c1sc(c(c1)c1ccccc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__