Molecule

ID:40577

General Information
Structure
Molecular Formula
C₁₂H₁₄ClNO₂
Molecular Mass
239.69806
Exact Mass
239.07130637
Charge
0
InChI
InChI=1S/C12H14ClNO2/c1-16-12(15)10-5-4-9(8-11(10)13)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKey
CSBLQYDWEPLAOP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1Cl)N1CCCC1
Isomeric Smiles
c1(c(cc(N2CCCC2)cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0945778
LogD (pH = 7.4)
3.0946083
Log P
3.0946088
Molar Refractivity
64.8577
Polarizability
24.431541
Polar Surface Area
29.54
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