AI46757
29799-07-3 | 4-(1-Adamantyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AI46757
ChemicalName
4-(1-Adamantyl)phenol
CasNumber
29799-07-3
MolecularFormula
C16H20O
MolecularWeight
228.3294
MdlNumber
MFCD00168143
Smiles
Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NscNumber
111653
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
5.2
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CatalogNumber: AI46757
ChemicalName: 4-(1-Adamantyl)phenol
CasNumber: 29799-07-3
MolecularFormula: C16H20O
MolecularWeight: 228.3294
MdlNumber: MFCD00168143
Smiles: Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NscNumber: 111653
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 5.2
CatalogNumber:
AI46757
ChemicalName:
4-(1-Adamantyl)phenol
CasNumber:
29799-07-3
MolecularFormula:
C16H20O
MolecularWeight:
228.3294
MdlNumber:
MFCD00168143
Smiles:
Oc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NscNumber:
111653
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
5.2
CatalogNumber: AI46758
ChemicalName: Carbamazepine
CasNumber: 298-46-4
MolecularFormula: C15H12N2O
MolecularWeight: 236.26858000000001
MdlNumber: MFCD18071344
Smiles: NC(=O)N1c2ccccc2C=Cc2c1cccc2
NscNumber: __
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AI46758
ChemicalName:
Carbamazepine
CasNumber:
298-46-4
MolecularFormula:
C15H12N2O
MolecularWeight:
236.26858000000001
MdlNumber:
MFCD18071344
Smiles:
NC(=O)N1c2ccccc2C=Cc2c1cccc2
NscNumber:
__
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 429
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)C=CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
429
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.8
CatalogNumber: AI46760
ChemicalName: 9-methoxy-2H-furo[3,2-g]chromen-2-one
CasNumber: 298-81-7
MolecularFormula: C12H8O4
MolecularWeight: 216.1895
MdlNumber: MFCD00005009
Smiles: COc1c2oc(=O)ccc2cc2c1occ2
NscNumber: __
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AI46760
ChemicalName:
9-methoxy-2H-furo[3,2-g]chromen-2-one
CasNumber:
298-81-7
MolecularFormula:
C12H8O4
MolecularWeight:
216.1895
MdlNumber:
MFCD00005009
Smiles:
COc1c2oc(=O)ccc2cc2c1occ2
NscNumber:
__
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.9