AI05305
1016701-33-9 | 3-[(Diethylamino)methyl]benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI05305
ChemicalName
3-[(Diethylamino)methyl]benzonitrile
CasNumber
1016701-33-9
MolecularFormula
C12H16N2
MolecularWeight
188.2688
MdlNumber
MFCD09931537
Smiles
CCN(Cc1cccc(c1)C#N)CC
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AI05305
ChemicalName: 3-[(Diethylamino)methyl]benzonitrile
CasNumber: 1016701-33-9
MolecularFormula: C12H16N2
MolecularWeight: 188.2688
MdlNumber: MFCD09931537
Smiles: CCN(Cc1cccc(c1)C#N)CC
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AI05305
ChemicalName:
3-[(Diethylamino)methyl]benzonitrile
CasNumber:
1016701-33-9
MolecularFormula:
C12H16N2
MolecularWeight:
188.2688
MdlNumber:
MFCD09931537
Smiles:
CCN(Cc1cccc(c1)C#N)CC
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: COc1cc(ccc1NCCCC(=O)O)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc(ccc1NCCCC(=O)O)[N+](=O)[O-]
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C1Nc2c(C1=Nc1ccccc1)cccc2
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Smiles:
O=C1Nc2c(C1=Nc1ccccc1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(c1cc(Br)ccc1F)NC1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1cc(Br)ccc1F)NC1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__