Molecule

ID:45943

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO
Molecular Mass
239.74112
Exact Mass
239.10769188
Charge
0
InChI
InChI=1S/C13H18ClNO/c1-13(2,3)9-4-5-12(11(14)6-9)16-10-7-15-8-10/h4-6,10,15H,7-8H2,1-3H3
InChIKey
KFWDUCNCLGTZAC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OC1CNC1)C(C)(C)C
Isomeric Smiles
c1(c(cc(C(C)(C)C)cc1)Cl)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6577437
LogD (pH = 7.4)
2.318485
Log P
3.4885142
Molar Refractivity
66.4175
Polarizability
26.493864
Polar Surface Area
21.26
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