AI68895
94412-40-5 | 4-(Trans-4-n-propylcyclohexyl)biphenyl-4'-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI68895
ChemicalName
4-(Trans-4-n-propylcyclohexyl)biphenyl-4'-carbonitrile
CasNumber
94412-40-5
MolecularFormula
C22H25N
MolecularWeight
303.4406
MdlNumber
MFCD06658191
Smiles
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cc1)C#N
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
1
RotatableBondCount
4
Xlogp3
7.1
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CatalogNumber: AI68895
ChemicalName: 4-(Trans-4-n-propylcyclohexyl)biphenyl-4'-carbonitrile
CasNumber: 94412-40-5
MolecularFormula: C22H25N
MolecularWeight: 303.4406
MdlNumber: MFCD06658191
Smiles: CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cc1)C#N
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 1
RotatableBondCount: 4
Xlogp3: 7.1
CatalogNumber:
AI68895
ChemicalName:
4-(Trans-4-n-propylcyclohexyl)biphenyl-4'-carbonitrile
CasNumber:
94412-40-5
MolecularFormula:
C22H25N
MolecularWeight:
303.4406
MdlNumber:
MFCD06658191
Smiles:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cc1)C#N
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
1
RotatableBondCount:
4
Xlogp3:
7.1
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Smiles: Fc1ccc(cc1)CC1CCNCC1.Cl
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Smiles:
Fc1ccc(cc1)CC1CCNCC1.Cl
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Smiles: O=C([C@@H](c1ccccc1)NC(=O)N1CCNC1=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C
Complexity: __
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Smiles:
O=C([C@@H](c1ccccc1)NC(=O)N1CCNC1=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C
Complexity:
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RotatableBondCount:
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Smiles: Fc1ccc2c(c1)c(C(=O)[O-])c(c(n2)c1ccc(cc1)c1ccccc1F)C.[Na+]
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc2c(c1)c(C(=O)[O-])c(c(n2)c1ccc(cc1)c1ccccc1F)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__