Molecule

ID:118880

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c12-8-6-11(14)13-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChIKey
BITWVVLBVUMFHU-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)NCCc1ccccc1
Isomeric Smiles
C(=O)(CCCl)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.413663
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9808786
LogD (pH = 7.4)
1.9808786
Log P
1.9808786
Molar Refractivity
58.1828
Polarizability
22.559658
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