Molecule

ID:61493

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₄
Molecular Mass
250.7273
Exact Mass
250.09852418
Charge
0
InChI
InChI=1S/C12H14N4.ClH/c1-2-10-11(14-4-1)3-5-15-12(10)16-8-6-13-7-9-16;/h1-5,13H,6-9H2;1H
InChIKey
IGTBBUXXWUUPBS-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nccc2c1cccn2.Cl
Isomeric Smiles
c1ccc2c(n1)ccnc2N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8756304
LogD (pH = 7.4)
-0.28998262
Log P
1.0798011
Molar Refractivity
63.3199
Polarizability
25.37534
Polar Surface Area
41.05
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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