Molecule

ID:31973

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₂O₂
Molecular Mass
246.73376
Exact Mass
246.11350554
Charge
0
InChI
InChI=1S/C11H18N2O2.ClH/c1-9-8-10(15-13-9)2-3-11(14)4-6-12-7-5-11;/h8,12,14H,2-7H2,1H3;1H
InChIKey
FRDVWIWKJLPWPF-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1)CCC1(O)CCNCC1.Cl
Isomeric Smiles
n1oc(cc1C)CCC1(CCNCC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.685982
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.4312053
LogD (pH = 7.4)
-2.4989257
Log P
-0.23333794
Molar Refractivity
58.3409
Polarizability
22.316425
Polar Surface Area
58.29
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