Molecule

ID:62903

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClN₅
Molecular Mass
305.8058
Exact Mass
305.14072335
Charge
0
InChI
InChI=1S/C15H19N5.ClH/c1-2-6-17-14(3-1)20-15-10-13(18-11-19-15)9-12-4-7-16-8-5-12;/h1-3,6,10-12,16H,4-5,7-9H2,(H,17,18,19,20);1H
InChIKey
QNLAJNCWVBWORK-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Cc1ncnc(c1)Nc1ccccn1.Cl
Isomeric Smiles
c1(ncnc(c1)CC1CCNCC1)Nc1ncccc1.Cl
Calculated Properties
JChem
Acid pKa
12.882173
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.5432781
LogD (pH = 7.4)
-0.8929809
Log P
1.8844534
Molar Refractivity
79.2768
Polarizability
30.136505
Polar Surface Area
62.73
Rotatable Bonds
4
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