Molecule

ID:48757

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-8-6-7(10)9-4-2-3-5-9;/h8H,2-6H2,1H3;1H
InChIKey
BOHWBCXULARPPK-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)N1CCCC1.Cl
Isomeric Smiles
N1(C(=O)CNC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6445954
LogD (pH = 7.4)
-2.093134
Log P
-0.6686882
Molar Refractivity
39.9346
Polarizability
15.631624
Polar Surface Area
32.34
Rotatable Bonds
2
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