Molecule

ID:57489

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClN₃
Molecular Mass
225.71784
Exact Mass
225.10327521
Charge
0
InChI
InChI=1S/C11H16ClN3/c1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3
InChIKey
GSWLWKFDOBMBAQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)Cc1ccc(nc1)Cl
Isomeric Smiles
N1(Cc2cnc(Cl)cc2)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.089983
LogD (pH = 7.4)
0.6731662
Log P
1.3683116
Molar Refractivity
64.36
Polarizability
24.724554
Polar Surface Area
19.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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