Molecule

ID:64856

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄
Molecular Mass
146.22886
Exact Mass
146.10955045
Charge
0
InChI
InChI=1S/C11H14/c1-8(2)11-6-5-9(3)7-10(11)4/h5-7H,1H2,2-4H3
InChIKey
QIDIFDCCFHVZOR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(=C)C
Isomeric Smiles
c1(ccc(c(c1)C)C(=C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0361853
LogD (pH = 7.4)
4.0361853
Log P
4.0361853
Molar Refractivity
50.1087
Polarizability
19.317228
Polar Surface Area
0.0
Rotatable Bonds
1
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