AV18354
321661-62-5 | Cytosporone B
Manufacturer: A2B Chem
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CatalogNumber
AV18354
ChemicalName
Cytosporone B
CasNumber
321661-62-5
MolecularFormula
C18H26O5
MolecularWeight
322.396
MdlNumber
MFCD12912406
Smiles
CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
11
Xlogp3
4.6
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CatalogNumber: AV18354
ChemicalName: Cytosporone B
CasNumber: 321661-62-5
MolecularFormula: C18H26O5
MolecularWeight: 322.396
MdlNumber: MFCD12912406
Smiles: CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 11
Xlogp3: 4.6
CatalogNumber:
AV18354
ChemicalName:
Cytosporone B
CasNumber:
321661-62-5
MolecularFormula:
C18H26O5
MolecularWeight:
322.396
MdlNumber:
MFCD12912406
Smiles:
CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
11
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)NOCc1ccccc1
Complexity: 155
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)NOCc1ccccc1
Complexity:
155
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AV18356
ChemicalName: Methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CasNumber: 916211-74-0
MolecularFormula: C9H9N3O2
MolecularWeight: 191.1867
MdlNumber: MFCD20923153
Smiles: Cc1cc(nc2n1ncc2)C(=O)OC
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AV18356
ChemicalName:
Methyl 7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CasNumber:
916211-74-0
MolecularFormula:
C9H9N3O2
MolecularWeight:
191.1867
MdlNumber:
MFCD20923153
Smiles:
Cc1cc(nc2n1ncc2)C(=O)OC
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1NC[C@H](C1)c1ccccc1.Cl
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1NC[C@H](C1)c1ccccc1.Cl
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__