AF59954
37845-05-9 | 3-Ethyladamantane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF59954
ChemicalName
3-Ethyladamantane-1-carboxylic acid
CasNumber
37845-05-9
MolecularFormula
C13H20O2
MolecularWeight
208.2967
MdlNumber
MFCD00218938
Smiles
CCC12CC3CC(C1)CC(C2)(C3)C(=O)O
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
3.3
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CatalogNumber: AF59954
ChemicalName: 3-Ethyladamantane-1-carboxylic acid
CasNumber: 37845-05-9
MolecularFormula: C13H20O2
MolecularWeight: 208.2967
MdlNumber: MFCD00218938
Smiles: CCC12CC3CC(C1)CC(C2)(C3)C(=O)O
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 3.3
CatalogNumber:
AF59954
ChemicalName:
3-Ethyladamantane-1-carboxylic acid
CasNumber:
37845-05-9
MolecularFormula:
C13H20O2
MolecularWeight:
208.2967
MdlNumber:
MFCD00218938
Smiles:
CCC12CC3CC(C1)CC(C2)(C3)C(=O)O
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
3.3
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MolecularFormula: __
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Smiles: N#Cc1cccnc1Sc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#Cc1cccnc1Sc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CC(=O)Nc2c(N1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CC(=O)Nc2c(N1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C(=O)O)Cc1cccc(c1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C(=O)O)Cc1cccc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__