Molecule

ID:62800

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClN₅
Molecular Mass
305.8058
Exact Mass
305.14072335
Charge
0
InChI
InChI=1S/C15H19N5.ClH/c1-11-9-14(19-13-6-2-3-8-17-13)20-15(18-11)12-5-4-7-16-10-12;/h2-3,6,8-9,12,16H,4-5,7,10H2,1H3,(H,17,18,19,20);1H
InChIKey
SSTIVJXWKCFLLR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nc(n1)C1CCCNC1)Nc1ccccn1.Cl
Isomeric Smiles
c1(nc(Nc2ncccc2)cc(n1)C)C1CNCCC1.Cl
Calculated Properties
JChem
Acid pKa
13.05254
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.1850435
LogD (pH = 7.4)
0.1519061
Log P
2.2360275
Molar Refractivity
79.1721
Polarizability
30.058737
Polar Surface Area
62.73
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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