Molecule

ID:20923

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO
Molecular Mass
175.65586
Exact Mass
175.07639175
Charge
0
InChI
InChI=1S/C8H13NO.ClH/c1-2-7-10-8-3-5-9-6-4-8;/h1,8-9H,3-7H2;1H
InChIKey
BLVLQRJNIQRPMQ-UHFFFAOYSA-N
Canonic Smiles
C#CCOC1CCNCC1.Cl
Isomeric Smiles
C(#C)COC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.223541
LogD (pH = 7.4)
-2.5350842
Log P
-0.0036093292
Molar Refractivity
40.7491
Polarizability
15.856076
Polar Surface Area
21.26
Rotatable Bonds
2
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