Molecule

ID:76342

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₂N₃O
Molecular Mass
274.14642
Exact Mass
273.04356741
Charge
0
InChI
InChI=1S/C11H11N3O.2ClH/c12-7-9-3-1-2-4-10(9)15-11-8-13-5-6-14-11;;/h1-6,8H,7,12H2;2*1H
InChIKey
KWKHKINQUCHJTQ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1Oc1cnccn1.Cl.Cl
Isomeric Smiles
O(c1c(cccc1)CN)c1cnccn1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.1726885
LogD (pH = 7.4)
-0.93954486
Log P
0.7584141
Molar Refractivity
56.7719
Polarizability
22.230469
Polar Surface Area
61.03
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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