AC95267
69151-39-9 | Benzo[d][1,3]dioxole-4-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AC95267
ChemicalName
Benzo[d][1,3]dioxole-4-carboxamide
CasNumber
69151-39-9
MolecularFormula
C8H7NO3
MolecularWeight
165.1461
MdlNumber
MFCD12963850
Smiles
NC(=O)c1cccc2c1OCO2
NscNumber
146453
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AC95267
ChemicalName: Benzo[d][1,3]dioxole-4-carboxamide
CasNumber: 69151-39-9
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD12963850
Smiles: NC(=O)c1cccc2c1OCO2
NscNumber: 146453
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AC95267
ChemicalName:
Benzo[d][1,3]dioxole-4-carboxamide
CasNumber:
69151-39-9
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD12963850
Smiles:
NC(=O)c1cccc2c1OCO2
NscNumber:
146453
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
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Smiles: COc1cc2OCOc2cc1N
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Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1cc2OCOc2cc1N
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Smiles: CCC(C(c1ccc(cc1)OCCN(CC)CC)CC)c1ccc(cc1)OCCN(CC)CC.Cl.Cl
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Smiles:
CCC(C(c1ccc(cc1)OCCN(CC)CC)CC)c1ccc(cc1)OCCN(CC)CC.Cl.Cl
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Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: O=C(CCCCC1CCSS1)NCCCNC(=O)CCCCC1CCSS1
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Xlogp3: __
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MolecularFormula:
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Smiles:
O=C(CCCCC1CCSS1)NCCCNC(=O)CCCCC1CCSS1
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
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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