Molecule

ID:27042

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H16ClNO/c1-2-3-4-10-5-7-11(8-6-10)14-12(15)9-13/h5-8H,2-4,9H2,1H3,(H,14,15)
InChIKey
NLIULGTVNKLYBM-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)NC(=O)CCl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)CCCC)CCl
Calculated Properties
JChem
Acid pKa
13.748622
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5954273
LogD (pH = 7.4)
3.5954273
Log P
3.5954273
Molar Refractivity
64.5184
Polarizability
24.313051
Polar Surface Area
29.1
Rotatable Bonds
5
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