Chemical Properties of Carbamazepine, M(HO-ring), AC

InChI

InChI=1S/C17H14N2O3/c1-11(20)22-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)19(16)17(18)21/h2-10H,1H3,(H2,18,21)

InChI Key

HVAJMFMLCLSATN-UHFFFAOYSA-N

Formula

C17H14N2O3

SMILES

CC(=O)Oc1ccc2c(c1)C=Cc1ccccc1N2C(N)=O

Molecular Weight¹

294.30

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	3.313		Crippen Calculated Property
McVol	216.680	ml/mol	McGowan Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST

Similar Compounds

Find more compounds similar to Carbamazepine, M(HO-ring), AC.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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