Molecule

ID:33266

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO
Molecular Mass
223.69866
Exact Mass
223.07639175
Charge
0
InChI
InChI=1S/C12H14ClNO/c1-12(2,3)8-4-5-10-9(6-8)14-11(7-13)15-10/h4-6H,7H2,1-3H3
InChIKey
ISCZMFMELFUQGR-UHFFFAOYSA-N
Canonic Smiles
ClCc1oc2c(n1)cc(cc2)C(C)(C)C
Isomeric Smiles
n1c2c(oc1CCl)ccc(c2)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5253294
LogD (pH = 7.4)
3.5253303
Log P
3.5253303
Molar Refractivity
60.5829
Polarizability
24.765453
Polar Surface Area
26.03
Rotatable Bonds
2
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