Molecule

ID:21495

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN
Molecular Mass
199.72032
Exact Mass
199.11277726
Charge
0
InChI
InChI=1S/C11H17N.ClH/c1-10(2)12-9-8-11-6-4-3-5-7-11;/h3-7,10,12H,8-9H2,1-2H3;1H
InChIKey
NNBIKELOFCERKK-UHFFFAOYSA-N
Canonic Smiles
CC(NCCc1ccccc1)C.Cl
Isomeric Smiles
N(CCc1ccccc1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6363035
LogD (pH = 7.4)
-0.13817774
Log P
2.593639
Molar Refractivity
53.2284
Polarizability
21.058664
Polar Surface Area
12.03
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