Molecule

ID:37829

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₄
Molecular Mass
238.7166
Exact Mass
238.09852418
Charge
0
InChI
InChI=1S/C11H14N4.ClH/c12-7-6-10-13-11(15-14-10)8-9-4-2-1-3-5-9;/h1-5H,6-8,12H2,(H,13,14,15);1H
InChIKey
OYMZVDTWQDCGJI-UHFFFAOYSA-N
Canonic Smiles
NCCc1[nH]nc(n1)Cc1ccccc1.Cl
Isomeric Smiles
c1(nc(n[nH]1)Cc1ccccc1)CCN.Cl
Calculated Properties
JChem
Acid pKa
11.945909
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7131792
LogD (pH = 7.4)
-0.70295566
Log P
1.444977
Molar Refractivity
60.7656
Polarizability
22.737017
Polar Surface Area
67.59
Rotatable Bonds
4
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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