Structure Database (LMSD)
Common Name
Chamazulene
Systematic Name
Synonyms
3D model of Chamazulene
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
String Representations
InChiKey (Click to copy)
GXGJIOMUZAGVEH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
SMILES (Click to copy)
C12=C(C)C=CC1=C(C)C=CC(CC)=C2
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
2
Aromatic Rings
2
Rotatable Bonds
1
Van der Waals Molecular Volume
191.04
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.02
Molar Refractivity
62.80
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Created at
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Updated at
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