Molecule

ID:45695

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₂
Molecular Mass
255.74052
Exact Mass
255.1026065
Charge
0
InChI
InChI=1S/C13H17NO2.ClH/c15-13(10-11-4-2-1-3-5-11)16-12-6-8-14-9-7-12;/h1-5,12,14H,6-10H2;1H
InChIKey
LFZHLNSUBMDCDB-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OC1CCNCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8192027
LogD (pH = 7.4)
-1.1294916
Log P
1.4006463
Molar Refractivity
62.2911
Polarizability
24.779095
Polar Surface Area
38.33
Rotatable Bonds
4
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