Metabolite noroxymorphone

Name
noroxymorphone
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
9NZ7111A9O
CAS number
Not Available
Weight
Average: 287.3105
Monoisotopic: 287.115758037
Chemical Formula
C16H17NO4
InChI Key
HLMSIZPQBSYUNL-IPOQPSJVSA-N
InChI
InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1
IUPAC Name
(1S,5R,13R,17S)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one
SMILES
[H][[email protected]@]12CC3=C4C(O[[email protected]]5C(=O)CC[[email protected]]1(O)[[email protected]@]45CCN2)=C(O)C=C3
Reactions
Human Metabolome Database
HMDB0061073
ChemSpider
4593755
ZINC
ZINC000002522694
Wikipedia
Noroxymorphone
Predicted Properties
PropertyValueSource
Water Solubility13.2 mg/mLALOGPS
logP0.19ALOGPS
logP0.12ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)10.19ChemAxon
pKa (Strongest Basic)9.36ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area78.79 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity74.26 m3·mol-1ChemAxon
Polarizability28.66 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon