Molecule

ID:11571

General Information
Structure
Molecular Formula
C₁₀H₁₇Cl₂NO₂
Molecular Mass
254.15348
Exact Mass
253.06363415
Charge
0
InChI
InChI=1S/C10H16ClNO2.ClH/c1-12-7-2-3-8(12)5-9(4-7)14-10(13)6-11;/h7-9H,2-6H2,1H3;1H
InChIKey
YAXQFZNASKOUCF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OC1CC2CCC(C1)N2C.Cl
Isomeric Smiles
C12CCC(N1C)CC(C2)OC(=O)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.3393126
LogD (pH = 7.4)
-0.9649551
Log P
1.0120299
Molar Refractivity
54.4985
Polarizability
21.848135
Polar Surface Area
29.54
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