AI57936
866043-35-8 | 1-(4-Fluorobenzenesulfonyl)azetidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57936
ChemicalName
1-(4-Fluorobenzenesulfonyl)azetidine-3-carboxylic acid
CasNumber
866043-35-8
MolecularFormula
C10H10FNO4S
MolecularWeight
259.2541
MdlNumber
MFCD05670688
Smiles
OC(=O)C1CN(C1)S(=O)(=O)c1ccc(cc1)F
Complexity
391
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AI57936
ChemicalName: 1-(4-Fluorobenzenesulfonyl)azetidine-3-carboxylic acid
CasNumber: 866043-35-8
MolecularFormula: C10H10FNO4S
MolecularWeight: 259.2541
MdlNumber: MFCD05670688
Smiles: OC(=O)C1CN(C1)S(=O)(=O)c1ccc(cc1)F
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AI57936
ChemicalName:
1-(4-Fluorobenzenesulfonyl)azetidine-3-carboxylic acid
CasNumber:
866043-35-8
MolecularFormula:
C10H10FNO4S
MolecularWeight:
259.2541
MdlNumber:
MFCD05670688
Smiles:
OC(=O)C1CN(C1)S(=O)(=O)c1ccc(cc1)F
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
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Smiles: Clc1ncc(s1)/C=C1/C(=O)Nc2c1cccc2
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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Smiles:
Clc1ncc(s1)/C=C1/C(=O)Nc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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ChemicalName: __
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Smiles: N#Cc1cccc(c1)c1ccnc(n1)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1cccc(c1)c1ccnc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)C[C@@H](c1ccccc1)NC(=O)c1cc(C)c(c(c1)C)Oc1cccc2c1NC1=NCCCN21
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](c1ccccc1)NC(=O)c1cc(C)c(c(c1)C)Oc1cccc2c1NC1=NCCCN21
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__