(11R)-10-oxa-1-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7-tetraen-11-ol

• ChemBase ID: 185527
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: [C@]12(C(=Cc3c(O1)cccc3)N1CC[C@H]2CC1)O
• Canonical SMILES: O[C@@]12Oc3ccccc3C=C2N2CC[C@@H]1CC2
• InChI: InChI=1S/C14H15NO2/c16-14-11-5-7-15(8-6-11)13(14)9-10-3-1-2-4-12(10)17-14/h1-4,9,11,16H,5-8H2/t14-/m1/s1
• InChIKey: XGGQLPQFCCSUJG-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (11R)-10-oxa-1-azatetracyclo[10.2.2.0^2,^1^1.0^4,^9]hexadeca-2,4(9),5,7-tetraen-11-ol
• IUPAC Traditional name: (11R)-10-oxa-1-azatetracyclo[10.2.2.0^2,^1^1.0^4,^9]hexadeca-2,4(9),5,7-tetraen-11-ol

Database IDs

• PubChem SID: 164241437
• PubChem CID: 685805

CALCULATED PROPERTIES

• Acid pKa: 10.896416
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2463118
• LogD (pH = 7.4): 1.5961252
• Log P: 1.7372878
• Molar Refractivity: 66.4872 cm^3
• Polarizability: 25.132427 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds