Molecule

ID:48710

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O
Molecular Mass
192.68638
Exact Mass
192.10294085
Charge
0
InChI
InChI=1S/C8H16N2O.ClH/c1-7-3-2-4-10(6-7)8(11)5-9;/h7H,2-6,9H2,1H3;1H
InChIKey
NNIGKRBZWMVMAU-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)N1CCCC(C1)C.Cl
Isomeric Smiles
N1(C(=O)CN)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7796516
LogD (pH = 7.4)
-1.095568
Log P
-0.2917271
Molar Refractivity
44.2326
Polarizability
17.470844
Polar Surface Area
46.33
Rotatable Bonds
1
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