Molecule

ID:78586

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN₃
Molecular Mass
223.70196
Exact Mass
223.08762514
Charge
0
InChI
InChI=1S/C11H13N3.ClH/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14;/h1-7H,8-9,12H2;1H
InChIKey
QUVMWCVEYSYIOW-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Cn1cccn1.Cl
Isomeric Smiles
n1cccn1Cc1ccc(cc1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7382886
LogD (pH = 7.4)
-0.81213975
Log P
1.2513474
Molar Refractivity
68.0474
Polarizability
21.868181
Polar Surface Area
43.84
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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