Structure Database (LMSD)
Common Name
Laurencenone B
Systematic Name
2-chloro-2,7-chamigradien-9-one
Synonyms
LM ID
LMPR0103670004
Status
Active
3D model of Laurencenone B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
OEZOQISFVZCWKU-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C15H21ClO/c1-10-5-6-15(9-13(10)16)11(2)7-12(17)8-14(15,3)4/h7H,5-6,8-9H2,1-4H3/t15-/m0/s1
SMILES (Click to copy)
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
2
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume
259.42
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
4.61
Molar Refractivity
72.00
Admin
Created at
13th Dec 2023
Updated at
13th Dec 2023