Molecule

ID:33500

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₂N₃O
Molecular Mass
274.14642
Exact Mass
273.04356741
Charge
0
InChI
InChI=1S/C11H12ClN3O.ClH/c12-6-8-3-4-10-13-14-11(15(10)7-8)9-2-1-5-16-9;/h3-4,7,9H,1-2,5-6H2;1H
InChIKey
XWOZGYSLRWCAON-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc2n(c1)c(nn2)C1CCCO1.Cl
Isomeric Smiles
n12c(nnc1ccc(c2)CCl)C1OCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.95297694
LogD (pH = 7.4)
0.95303607
Log P
0.9530368
Molar Refractivity
64.1999
Polarizability
23.432291
Polar Surface Area
39.42
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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