AI48162
3352-98-5 | 4'-Methylacetophenone semicarbazone
Manufacturer: A2B Chem
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CatalogNumber
AI48162
ChemicalName
4'-Methylacetophenone semicarbazone
CasNumber
3352-98-5
MolecularFormula
C10H13N3O
MolecularWeight
191.2297
MdlNumber
MFCD00094281
Smiles
CC1=CC=C(C=C1)C(=NNC(=O)N)C
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AI48162
ChemicalName: 4'-Methylacetophenone semicarbazone
CasNumber: 3352-98-5
MolecularFormula: C10H13N3O
MolecularWeight: 191.2297
MdlNumber: MFCD00094281
Smiles: CC1=CC=C(C=C1)C(=NNC(=O)N)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AI48162
ChemicalName:
4'-Methylacetophenone semicarbazone
CasNumber:
3352-98-5
MolecularFormula:
C10H13N3O
MolecularWeight:
191.2297
MdlNumber:
MFCD00094281
Smiles:
CC1=CC=C(C=C1)C(=NNC(=O)N)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
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Smiles: COc1ccccc1CNc1ccccc1F.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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Smiles:
COc1ccccc1CNc1ccccc1F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedBondStereocenterCount:
__
Xlogp3:
__
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Smiles: NC(=O)c1cc(ccc1NCc1cccnc1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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__
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MolecularWeight:
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Smiles:
NC(=O)c1cc(ccc1NCc1cccnc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
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Smiles: COc1ccc(cc1)S(=O)(=O)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)S(=O)(=O)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__