Molecule

ID:48786

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c8-4-3-7(10)9-5-1-2-6-9;/h1-6,8H2;1H
InChIKey
CFTPINJPOZAGCI-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCCC1.Cl
Isomeric Smiles
C(=O)(N1CCCC1)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7983074
LogD (pH = 7.4)
-2.57557
Log P
-0.86425585
Molar Refractivity
39.8594
Polarizability
15.631624
Polar Surface Area
46.33
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