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Chem Carbamazepine | Cheminformatics

Carbamazepine


  • SKU Code: CH136878
Chemical Name - Carbamazepine
Mol Weight - 236.273
Smiles - NC(N1c(cccc2)c2C=Cc2c1cccc2)=O
Property Name Property Value
Mol NameCarbamazepine
Molweight236.273
Monoisotopic Mass236.094963
Clogp3.1187
Clogs-5.267
H Acceptors3
H Donors1
Total Surface Area182.59
Relative Psa0.17449
Polar Surface Area46.33
Druglikeness1.5571
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Shape Index0.44444
Molecular Flexibility0.24288
Molecular Complexity0.75107
Fragments1
Non H Atoms18
Non Ch Atoms3
Electronegative Atoms3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Symmetric Atoms7
Amides2
SmilesNC(N1c(cccc2)c2C=Cc2c1cccc2)=O
InChIKey
InChIC15H12N2O

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1 - Carbamazepine
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