AA95577
180336-49-6 | 4-(Cyclohexylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA95577
ChemicalName
4-(Cyclohexylamino)benzonitrile
CasNumber
180336-49-6
MolecularFormula
C13H16N2
MolecularWeight
200.2795
MdlNumber
MFCD11145784
Smiles
N#Cc1ccc(cc1)NC1CCCCC1
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA95577
ChemicalName: 4-(Cyclohexylamino)benzonitrile
CasNumber: 180336-49-6
MolecularFormula: C13H16N2
MolecularWeight: 200.2795
MdlNumber: MFCD11145784
Smiles: N#Cc1ccc(cc1)NC1CCCCC1
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA95577
ChemicalName:
4-(Cyclohexylamino)benzonitrile
CasNumber:
180336-49-6
MolecularFormula:
C13H16N2
MolecularWeight:
200.2795
MdlNumber:
MFCD11145784
Smiles:
N#Cc1ccc(cc1)NC1CCCCC1
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC[C@H]1OC(=C[C@H]([C@H]1O)O)C(=N)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OC[C@H]1OC(=C[C@H]([C@H]1O)O)C(=N)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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RotatableBondCount:
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Smiles: CNC.[Ga]
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Smiles:
CNC.[Ga]
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: OC(=O)[C@]1(C[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@]1(C[C@@H]1c1ccccc1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__