AI44958
21398-80-1 | N-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AI44958
ChemicalName
N-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CasNumber
21398-80-1
MolecularFormula
C10H11NO3
MolecularWeight
193.1992
MdlNumber
MFCD00461072
Smiles
CNC(=O)C1COc2c(O1)cccc2
NscNumber
36579
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AI44958
ChemicalName: N-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CasNumber: 21398-80-1
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD00461072
Smiles: CNC(=O)C1COc2c(O1)cccc2
NscNumber: 36579
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AI44958
ChemicalName:
N-Methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CasNumber:
21398-80-1
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD00461072
Smiles:
CNC(=O)C1COc2c(O1)cccc2
NscNumber:
36579
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc2c(c1)nc1c(n2)c2nc3ccccc3nc2c2c1nc1ccccc1n2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc2c(c1)nc1c(n2)c2nc3ccccc3nc2c2c1nc1ccccc1n2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI44960
ChemicalName: 2'-O-Methylcytidine
CasNumber: 2140-72-9
MolecularFormula: C10H15N3O5
MolecularWeight: 257.2432
MdlNumber: MFCD11519076
Smiles: CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)CO
NscNumber: __
Complexity: 397
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: -1.6
CatalogNumber:
AI44960
ChemicalName:
2'-O-Methylcytidine
CasNumber:
2140-72-9
MolecularFormula:
C10H15N3O5
MolecularWeight:
257.2432
MdlNumber:
MFCD11519076
Smiles:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)CO
NscNumber:
__
Complexity:
397
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)C(C#N)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)C(C#N)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__