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Chemistry | Software | Chem 4 Methoxycarbonyl 3 Nitrobenzoic Acid

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4-(methoxycarbonyl)-3-nitrobenzoic acid


  • SKU Code: CH136401
Chemical Name - 4-(methoxycarbonyl)-3-nitrobenzoic acid
Mol Weight - 225.156
Smiles - COC(c(ccc(C(O)=O)c1)c1[N+]([O-])=O)=O
Property Name Property Value
Mol Name4-(methoxycarbonyl)-3-nitrobenzoic acid
Molweight225.156
Monoisotopic Mass225.027339
Clogp0.1361
Clogs-2.23
H Acceptors7
H Donors1
Total Surface Area161.04
Relative Psa0.49429
Polar Surface Area109.42
Druglikeness-8.7962
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.5625
Molecular Flexibility0.47192
Molecular Complexity0.75619
Fragments1
Non H Atoms16
Non Ch Atoms7
Electronegative Atoms7
Rotatable Bonds4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms4
Acidic Oxygens2
SmilesCOC(c(ccc(C(O)=O)c1)c1[N+]([O-])=O)=O

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