Molecule

ID:50930

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂N₃
Molecular Mass
256.13114
Exact Mass
255.03300273
Charge
0
InChI
InChI=1S/C11H11Cl2N3/c1-16-5-4-15-11(16)10(14)7-2-3-8(12)9(13)6-7/h2-6,10H,14H2,1H3
InChIKey
UMAMSTMESQUSCO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)C(c1nccn1C)N
Isomeric Smiles
c1(n(ccn1)C)C(c1cc(c(cc1)Cl)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4325151
LogD (pH = 7.4)
2.0269716
Log P
2.4219055
Molar Refractivity
65.6774
Polarizability
25.638443
Polar Surface Area
43.84
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
No Data Available
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Molecule Details
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References
Bioactivity
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