Molecule

ID:46339

General Information
Structure
Molecular Formula
C₁₀H₂₀ClNO
Molecular Mass
205.7249
Exact Mass
205.12334195
Charge
0
InChI
InChI=1S/C10H19NO.ClH/c1-2-8-12-9-5-10-3-6-11-7-4-10;/h2,10-11H,1,3-9H2;1H
InChIKey
JQFSYZHNRFZWQK-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCC=C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9048126
LogD (pH = 7.4)
-1.4484228
Log P
1.3267732
Molar Refractivity
51.8276
Polarizability
20.407072
Polar Surface Area
21.26
Rotatable Bonds
5
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