Molecule

ID:45816

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClNO₂
Molecular Mass
219.70842
Exact Mass
219.1026065
Charge
0
InChI
InChI=1S/C10H17NO2.ClH/c12-10(9-3-4-9)13-7-8-2-1-5-11-6-8;/h8-9,11H,1-7H2;1H
InChIKey
USHQSNQNVRMJQL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)OCC1CCCNC1.Cl
Isomeric Smiles
C1(C(=O)OCC2CNCCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3809469
LogD (pH = 7.4)
-1.8654236
Log P
0.8482602
Molar Refractivity
49.6876
Polarizability
19.986265
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