Molecule

ID:48913

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀ClN₃O
Molecular Mass
233.7383
Exact Mass
233.12948996
Charge
0
InChI
InChI=1S/C10H19N3O.ClH/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9;/h9,11H,2-8H2,1H3;1H
InChIKey
QZMWJRAHCFFUJU-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.9442487
LogD (pH = 7.4)
-3.0313773
Log P
-0.6096123
Molar Refractivity
55.73
Polarizability
21.952879
Polar Surface Area
35.58
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