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Chem Ortho Nitro Aniline | Cheminformatics

Ortho Nitro Aniline


  • SKU Code: CH136996
Chemical Name - Ortho Nitro Aniline
Mol Weight - 138.126
Smiles - Nc(cccc1)c1[N+]([O-])=O
Property Name Property Value
Mol NameOrtho Nitro Aniline
Molweight138.126
Monoisotopic Mass138.042928
Clogp0.0607
Clogs-2.152
H Acceptors4
H Donors1
Total Surface Area105.45
Relative Psa0.43329
Polar Surface Area71.84
Druglikeness-7.2389
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.6
Molecular Flexibility0.3819
Molecular Complexity0.65162
Fragments1
Non H Atoms10
Non Ch Atoms4
Electronegative Atoms4
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Amines1
Aromatic Amines1
Acidic Oxygens1
SmilesNc(cccc1)c1[N+]([O-])=O
InChIKeyInChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
InChIDPJCXCZTLWNFOH-UHFFFAOYSA-N

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