AD51229
10282-30-1 | 4-Pyrrolidiobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AD51229
ChemicalName
4-Pyrrolidiobenzonitrile
CasNumber
10282-30-1
MolecularFormula
C11H12N2
MolecularWeight
172.2264
MdlNumber
MFCD07368512
Smiles
N#Cc1ccc(cc1)N1CCCC1
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.3
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CatalogNumber: AD51229
ChemicalName: 4-Pyrrolidiobenzonitrile
CasNumber: 10282-30-1
MolecularFormula: C11H12N2
MolecularWeight: 172.2264
MdlNumber: MFCD07368512
Smiles: N#Cc1ccc(cc1)N1CCCC1
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.3
CatalogNumber:
AD51229
ChemicalName:
4-Pyrrolidiobenzonitrile
CasNumber:
10282-30-1
MolecularFormula:
C11H12N2
MolecularWeight:
172.2264
MdlNumber:
MFCD07368512
Smiles:
N#Cc1ccc(cc1)N1CCCC1
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.3
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: SCC[C@@](c1nc2c(s1)cccc2)(C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
SCC[C@@](c1nc2c(s1)cccc2)(C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(CC(=S)N)NCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=C(CC(=S)N)NCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)N(S(=O)(=O)c1ccccc1)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)N(S(=O)(=O)c1ccccc1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__