Molecule

ID:62863

General Information
Structure
Molecular Formula
C₁₀H₁₄ClN₅
Molecular Mass
239.70466
Exact Mass
239.09377315
Charge
0
InChI
InChI=1S/C10H13N5.ClH/c1-15-10-9(12-4-5-13-10)8(14-15)7-2-3-11-6-7;/h4-5,7,11H,2-3,6H2,1H3;1H
InChIKey
KRLZKYDBNJBEMJ-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c2c1nccn2)C1CNCC1.Cl
Isomeric Smiles
n1c(c2c(n1C)nccn2)C1CNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.552792
LogD (pH = 7.4)
-3.274744
Log P
-0.31576186
Molar Refractivity
66.824
Polarizability
22.04362
Polar Surface Area
55.63
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