Molecule

ID:38139

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClN₄O
Molecular Mass
266.7267
Exact Mass
266.0934388
Charge
0
InChI
InChI=1S/C12H14N4O.ClH/c1-3-9(7-13-5-1)11-15-12(17-16-11)10-4-2-6-14-8-10;/h1,3,5,7,10,14H,2,4,6,8H2;1H
InChIKey
LXVSZDMDBIKLKC-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)c1onc(n1)c1cccnc1.Cl
Isomeric Smiles
o1c(C2CNCCC2)nc(n1)c1cccnc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9535806
LogD (pH = 7.4)
-0.6090944
Log P
1.2853813
Molar Refractivity
74.6466
Polarizability
24.747505
Polar Surface Area
63.84
Rotatable Bonds
2
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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