Structure Database (LMSD)
Systematic Name
7-(bromochloromethyl)-3R,4S,8-trichloro-3-methyl-1,5E,7E-octatriene
Synonyms
LM ID
LMPR0102030001
Formula
C10H11BrCl4
Exact Mass
Calculate m/z
349.879823
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
ZMUWHDFETXWZJR-IIOCEBGXSA-N
InChi (Click to copy)
InChI=1S/C10H11BrCl4/c1-3-10(2,15)8(13)5-4-7(6-12)9(11)14/h3-6,8-9H,1H2,2H3/b5-4+,7-6+/t8-,9?,10+/m0/s1
SMILES (Click to copy)
C(=C/[C@H](Cl)[C@@](Cl)(C)C=C)\C(\C(Br)Cl)=C/Cl
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
253.76
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
6.28
Molar Refractivity
77.28
Admin
Created at
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Updated at
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