AB45838
219311-44-1 | Dabuzalgron
Manufacturer: A2B Chem
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CatalogNumber
AB45838
ChemicalName
Dabuzalgron
CasNumber
219311-44-1
MolecularFormula
C12H16ClN3O3S
MolecularWeight
317.7917
MdlNumber
MFCD13195546
Smiles
Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
Complexity
463
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.9
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CatalogNumber: AB45838
ChemicalName: Dabuzalgron
CasNumber: 219311-44-1
MolecularFormula: C12H16ClN3O3S
MolecularWeight: 317.7917
MdlNumber: MFCD13195546
Smiles: Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
Complexity: 463
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.9
CatalogNumber:
AB45838
ChemicalName:
Dabuzalgron
CasNumber:
219311-44-1
MolecularFormula:
C12H16ClN3O3S
MolecularWeight:
317.7917
MdlNumber:
MFCD13195546
Smiles:
Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1
Complexity:
463
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](CO)N
Complexity: 22.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](CO)N
Complexity:
22.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1cccc2c1cccc2S(=O)(=O)Cl)C
Complexity: 363
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1cccc2c1cccc2S(=O)(=O)Cl)C
Complexity:
363
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: AB45841
ChemicalName: D-Aspartic acid dimethyl ester, HCl
CasNumber: 69630-50-8
MolecularFormula: C6H12ClNO4
MolecularWeight: 197.6168
MdlNumber: MFCD00070384
Smiles: COC(=O)C[C@H](C(=O)OC)N.Cl
Complexity: 157
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AB45841
ChemicalName:
D-Aspartic acid dimethyl ester, HCl
CasNumber:
69630-50-8
MolecularFormula:
C6H12ClNO4
MolecularWeight:
197.6168
MdlNumber:
MFCD00070384
Smiles:
COC(=O)C[C@H](C(=O)OC)N.Cl
Complexity:
157
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
__