ChemSpider 2D Image | clavatadine C | C14H17Br2N5O3

clavatadine C

  • Molecular FormulaC14H17Br2N5O3
  • Average mass463.125 Da
  • Monoisotopic mass460.969788 Da
  • ChemSpider ID24623143

More details:

Featured data source
Natural Product Updates

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide, N-[4-[(aminoiminomethyl)amino]butyl]-7,9-dibromo-8-oxo- [ACD/Index Name]
7,9-Dibrom-N-(4-carbamimidamidobutyl)-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-trien-3-carboxamid [German] [ACD/IUPAC Name]
7,9-Dibromo-N-(4-carbamimidamidobutyl)-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxamide [ACD/IUPAC Name]
7,9-Dibromo-N-(4-carbamimidamidobutyl)-8-oxo-1-oxa-2-azaspiro[4.5]déca-2,6,9-triène-3-carboxamide [French] [ACD/IUPAC Name]
clavatadine C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 240.2±7.0 cm3

Click to predict properties on the Chemicalize site


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