Molecule

ID:62314

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₆
Molecular Mass
292.76728
Exact Mass
292.12032225
Charge
0
InChI
InChI=1S/C13H16N6.ClH/c1-4-16-13(17-5-1)19-12-9-15-8-11(18-12)10-2-6-14-7-3-10;/h1,4-5,8-10,14H,2-3,6-7H2,(H,16,17,18,19);1H
InChIKey
PIGDPBNAVFVUIN-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1cncc(n1)Nc1ncccn1.Cl
Isomeric Smiles
N(c1ncccn1)c1nc(C2CCNCC2)cnc1.Cl
Calculated Properties
JChem
Acid pKa
8.463304
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.639443
LogD (pH = 7.4)
-1.7710656
Log P
-0.8474798
Molar Refractivity
72.1773
Polarizability
27.40847
Polar Surface Area
75.62
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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