Molecule

ID:77645

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₄
Molecular Mass
238.7166
Exact Mass
238.09852418
Charge
0
InChI
InChI=1S/C11H14N4.ClH/c1-2-4-11-10(3-1)13-14-15(11)9-5-7-12-8-6-9;/h1-4,9,12H,5-8H2;1H
InChIKey
SIZIQJKLJZWLLD-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)n1nnc2c1cccc2.Cl
Isomeric Smiles
n1nc2c(cccc2)n1C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1555898
LogD (pH = 7.4)
-1.5396633
Log P
1.0687164
Molar Refractivity
69.4305
Polarizability
23.712479
Polar Surface Area
42.74
Rotatable Bonds
1
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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