Molecule

ID:70472

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClN₃
Molecular Mass
199.68056
Exact Mass
199.08762514
Charge
0
InChI
InChI=1S/C9H13N3.ClH/c1-4-11-9(12-5-1)8-2-6-10-7-3-8;/h1,4-5,8,10H,2-3,6-7H2;1H
InChIKey
UHKXHOSBSOOQIF-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1ncccn1.Cl
Isomeric Smiles
c1(ncccn1)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7574313
LogD (pH = 7.4)
-1.8545426
Log P
0.57095236
Molar Refractivity
47.7783
Polarizability
18.465643
Polar Surface Area
37.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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