Molecule

ID:42824

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO
Molecular Mass
194.65744
Exact Mass
194.04984265
Charge
0
InChI
InChI=1S/C11H11ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,13H,5-7H2
InChIKey
IFPWUATXSMOUFP-UHFFFAOYSA-N
Canonic Smiles
OCC1=C(Cl)c2c(CC1)cccc2
Isomeric Smiles
C1(=C(CCc2c1cccc2)CO)Cl
Calculated Properties
JChem
Acid pKa
15.065344
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2629316
LogD (pH = 7.4)
2.2629316
Log P
2.2629316
Molar Refractivity
55.4297
Polarizability
20.998318
Polar Surface Area
20.23
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