AD24662
478832-21-2 | 4-Hydroxyazepane-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD24662
ChemicalName
4-Hydroxyazepane-1-carboxylic acid tert-butyl ester
CasNumber
478832-21-2
MolecularFormula
C11H21NO3
MolecularWeight
215.2893
MdlNumber
MFCD07368610
Smiles
OC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AD24662
ChemicalName: 4-Hydroxyazepane-1-carboxylic acid tert-butyl ester
CasNumber: 478832-21-2
MolecularFormula: C11H21NO3
MolecularWeight: 215.2893
MdlNumber: MFCD07368610
Smiles: OC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AD24662
ChemicalName:
4-Hydroxyazepane-1-carboxylic acid tert-butyl ester
CasNumber:
478832-21-2
MolecularFormula:
C11H21NO3
MolecularWeight:
215.2893
MdlNumber:
MFCD07368610
Smiles:
OC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: C1CCC(CN1)Oc1ccc2c(c1)cn[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
C1CCC(CN1)Oc1ccc2c(c1)cn[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C(OC(C)(C)C)NC1CCCN(C1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
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__
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Smiles:
O=C(OC(C)(C)C)NC1CCCN(C1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Clc1cccc(c1)c1ccc(cc1)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1cccc(c1)c1ccc(cc1)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__