Molecule

ID:30403

General Information
Structure
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-2-8(9(11)12)10-6-4-3-5-7-10;/h8H,2-7H2,1H3,(H,11,12);1H
InChIKey
VKQBXHWSUJICLZ-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)N1CCCCC1.Cl
Isomeric Smiles
N1(C(C(=O)O)CC)CCCCC1.Cl
Calculated Properties
JChem
Acid pKa
2.0008793
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1209327
LogD (pH = 7.4)
-1.1210084
Log P
-1.1208597
Molar Refractivity
47.2326
Polarizability
18.621471
Polar Surface Area
40.54
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