AI61558
91908-44-0 | N-(2,2-Diethoxyethyl)isonicotinamide
Manufacturer: A2B Chem
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CatalogNumber
AI61558
ChemicalName
N-(2,2-Diethoxyethyl)isonicotinamide
CasNumber
91908-44-0
MolecularFormula
C12H18N2O3
MolecularWeight
238.2829
MdlNumber
MFCD22575446
Smiles
CCOC(CNC(=O)c1ccncc1)OCC
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
0.7
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CatalogNumber: AI61558
ChemicalName: N-(2,2-Diethoxyethyl)isonicotinamide
CasNumber: 91908-44-0
MolecularFormula: C12H18N2O3
MolecularWeight: 238.2829
MdlNumber: MFCD22575446
Smiles: CCOC(CNC(=O)c1ccncc1)OCC
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 0.7
CatalogNumber:
AI61558
ChemicalName:
N-(2,2-Diethoxyethyl)isonicotinamide
CasNumber:
91908-44-0
MolecularFormula:
C12H18N2O3
MolecularWeight:
238.2829
MdlNumber:
MFCD22575446
Smiles:
CCOC(CNC(=O)c1ccncc1)OCC
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
0.7
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Smiles: C1=CC(=C(C=C1[N+](=O)[O-])C2=CSC=C2)C(=O)O
Complexity: __
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Xlogp3: __
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Smiles:
C1=CC(=C(C=C1[N+](=O)[O-])C2=CSC=C2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccsc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccsc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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MolecularFormula: __
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Smiles: CCOC(=O)c1cc2c([nH]1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c([nH]1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__