Molecule

ID:117290

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₄
Molecular Mass
262.738
Exact Mass
262.09852418
Charge
0
InChI
InChI=1S/C13H15ClN4/c14-11-2-1-3-12(10-11)18-9-6-16-13(18)17-7-4-15-5-8-17/h1-3,6,9-10,15H,4-5,7-8H2
InChIKey
SQLDVRRWLVNKRR-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)n1ccnc1N1CCNCC1
Isomeric Smiles
c1(n(c2cc(Cl)ccc2)ccn1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5776368
LogD (pH = 7.4)
0.89073616
Log P
2.3927
Molar Refractivity
83.4685
Polarizability
28.57712
Polar Surface Area
33.09
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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