AI47489
32087-05-1 | 3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI47489
ChemicalName
3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
CasNumber
32087-05-1
MolecularFormula
C9H11NO4S
MolecularWeight
229.25294000000002
MdlNumber
MFCD00121326
Smiles
COC(=O)c1cccc(c1)NS(=O)(=O)C
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.2
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CatalogNumber: AI47489
ChemicalName: 3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
CasNumber: 32087-05-1
MolecularFormula: C9H11NO4S
MolecularWeight: 229.25294000000002
MdlNumber: MFCD00121326
Smiles: COC(=O)c1cccc(c1)NS(=O)(=O)C
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AI47489
ChemicalName:
3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
CasNumber:
32087-05-1
MolecularFormula:
C9H11NO4S
MolecularWeight:
229.25294000000002
MdlNumber:
MFCD00121326
Smiles:
COC(=O)c1cccc(c1)NS(=O)(=O)C
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCCCN(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCCCN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CN2C(=N[C@H](C2)c2ccccc2)S1.OP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CN2C(=N[C@H](C2)c2ccccc2)S1.OP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI47492
ChemicalName: Adenine sulfate
CasNumber: 321-30-2
MolecularFormula: C10H12N10O4S
MolecularWeight: 368.3319
MdlNumber: MFCD00213655
Smiles: OS(=O)(=O)O.Nc1ncnc2c1[nH]cn2.Nc1ncnc2c1[nH]cn2
Complexity: 209
Covalently-bondedUnitCount: 3
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 6
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI47492
ChemicalName:
Adenine sulfate
CasNumber:
321-30-2
MolecularFormula:
C10H12N10O4S
MolecularWeight:
368.3319
MdlNumber:
MFCD00213655
Smiles:
OS(=O)(=O)O.Nc1ncnc2c1[nH]cn2.Nc1ncnc2c1[nH]cn2
Complexity:
209
Covalently-bondedUnitCount:
3
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
6
RotatableBondCount:
__
Xlogp3:
__