Molecule

ID:121828

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆IN
Molecular Mass
301.16661
Exact Mass
301.03274752
Charge
0
InChI
InChI=1S/C12H16N.HI/c1-12(2)8-10-6-4-5-7-11(10)9-13(12)3;/h4-7,9H,8H2,1-3H3;1H/q+1;/p-1
InChIKey
YJWOAJWTCMABRS-UHFFFAOYSA-M
Canonic Smiles
C[N+]1=Cc2ccccc2CC1(C)C.[I-]
Isomeric Smiles
[N+]1(=Cc2c(CC1(C)C)cccc2)C.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.8573403
LogD (pH = 7.4)
-0.8573403
Log P
-0.8573403
Molar Refractivity
68.074
Polarizability
21.610588
Polar Surface Area
3.01
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation