9H-xanthene-9-carbohydrazide

• ChemBase ID: 27120
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: C1(c2c(Oc3c1cccc3)cccc2)C(=O)NN
• Canonical SMILES: NNC(=O)C1c2ccccc2Oc2c1cccc2
• InChI: InChI=1S/C14H12N2O2/c15-16-14(17)13-9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)13/h1-8,13H,15H2,(H,16,17)
• InChIKey: VDVNAWMSFFMKDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-xanthene-9-carbohydrazide
• IUPAC Traditional name: 9H-xanthene-9-carbohydrazide
• Synonyms: 9H-Xanthene-9-carbohydrazide

Database IDs

• MDL Number: MFCD00100677
• PubChem SID: 160990427
• PubChem CID: 699666

CALCULATED PROPERTIES

• Acid pKa: 12.132048
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7096975
• LogD (pH = 7.4): 1.7113785
• Log P: 1.7114074
• Molar Refractivity: 68.5242 cm^3
• Polarizability: 26.234314 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false