AI53345
59743-84-9 | Benzo[b]thiophen-10-methoxycycloheptanone
Manufacturer: A2B Chem
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CatalogNumber
AI53345
ChemicalName
Benzo[b]thiophen-10-methoxycycloheptanone
CasNumber
59743-84-9
MolecularFormula
C14H10O2S
MolecularWeight
242.293
MdlNumber
MFCD00101207
Smiles
COc1cc2ccccc2c(=O)c2c1scc2
Complexity
350
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AI53345
ChemicalName: Benzo[b]thiophen-10-methoxycycloheptanone
CasNumber: 59743-84-9
MolecularFormula: C14H10O2S
MolecularWeight: 242.293
MdlNumber: MFCD00101207
Smiles: COc1cc2ccccc2c(=O)c2c1scc2
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AI53345
ChemicalName:
Benzo[b]thiophen-10-methoxycycloheptanone
CasNumber:
59743-84-9
MolecularFormula:
C14H10O2S
MolecularWeight:
242.293
MdlNumber:
MFCD00101207
Smiles:
COc1cc2ccccc2c(=O)c2c1scc2
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.3
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Smiles: CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)COP(=O)(OCCN)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)COP(=O)(OCCN)O
Complexity:
__
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Smiles: O=C(OC(C)(C)C)N[C@@H]1[C@@H](N)Cc2c1cccc2
Complexity: __
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Smiles:
O=C(OC(C)(C)C)N[C@@H]1[C@@H](N)Cc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(Cc1ccccc1)Cc1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(Cc1ccccc1)Cc1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__