AI52102
54-85-3 | Isoniazid
Manufacturer: A2B Chem
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CatalogNumber
AI52102
ChemicalName
Isoniazid
CasNumber
54-85-3
MolecularFormula
C6H7N3O
MolecularWeight
137.1393
MdlNumber
MFCD00006426
Smiles
NNC(=O)c1ccncc1
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.7
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CatalogNumber: AI52102
ChemicalName: Isoniazid
CasNumber: 54-85-3
MolecularFormula: C6H7N3O
MolecularWeight: 137.1393
MdlNumber: MFCD00006426
Smiles: NNC(=O)c1ccncc1
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.7
CatalogNumber:
AI52102
ChemicalName:
Isoniazid
CasNumber:
54-85-3
MolecularFormula:
C6H7N3O
MolecularWeight:
137.1393
MdlNumber:
MFCD00006426
Smiles:
NNC(=O)c1ccncc1
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)F
Complexity: 54.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)F
Complexity:
54.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AI52104
ChemicalName: 5-Methylbenzoimidazol-2(3H)-one
CasNumber: 5400-75-9
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD00754728
Smiles: Cc1ccc2c(c1)[nH]c(=O)[nH]2
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AI52104
ChemicalName:
5-Methylbenzoimidazol-2(3H)-one
CasNumber:
5400-75-9
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD00754728
Smiles:
Cc1ccc2c(c1)[nH]c(=O)[nH]2
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(CC1OC1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(CC1OC1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__