Molecule

ID:60535

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H14ClNO/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKey
ANVYFIHSSVDAFE-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1cc(C)cc(c1)C
Isomeric Smiles
C(=O)(Nc1cc(cc(c1)C)C)CCCl
Calculated Properties
JChem
Acid pKa
14.17707
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0121555
LogD (pH = 7.4)
3.0121555
Log P
3.0121555
Molar Refractivity
60.456
Polarizability
22.396698
Polar Surface Area
29.1
Rotatable Bonds
3
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