Molecule

ID:55784

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClFN₃O₂
Molecular Mass
287.7178032
Exact Mass
287.08368264
Charge
0
InChI
InChI=1S/C12H14FN3O2.ClH/c1-14-7-6-11-15-12(18-16-11)8-17-10-5-3-2-4-9(10)13;/h2-5,14H,6-8H2,1H3;1H
InChIKey
GHGGFBKMZBQPJV-UHFFFAOYSA-N
Canonic Smiles
CNCCc1noc(n1)COc1ccccc1F.Cl
Isomeric Smiles
n1oc(nc1CCNC)COc1c(cccc1)F.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4312605
LogD (pH = 7.4)
-0.14835984
Log P
1.8219379
Molar Refractivity
64.7514
Polarizability
24.253994
Polar Surface Area
60.18
Rotatable Bonds
6
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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