Molecule

ID:125850

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₄
Molecular Mass
278.78046
Exact Mass
278.12982431
Charge
0
InChI
InChI=1S/C14H19N4.ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1
InChIKey
LCTXBFGHZLGBNU-UHFFFAOYSA-M
Canonic Smiles
CCCc1ncc(c(n1)N)C[n+]1ccccc1C.[Cl-]
Isomeric Smiles
[Cl-].n1c(c(cnc1CCC)C[n+]1ccccc1C)N
Calculated Properties
JChem
LogD (pH = 7.4)
-2.31
LogD (pH = 5.5)
-2.53
Log P
-2.31
Rotatable Bonds
4
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
5.33
Polar Surface Area
55.68
Polarizability
27.63
Molar Refractivity
75.04
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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