Molecule

ID:11213

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)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3
InChIKey
LOCKPKWGFIBYLB-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1ccc(cc1Cl)N
Isomeric Smiles
N1(c2c(cc(cc2)N)Cl)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.062128644
LogD (pH = 7.4)
1.5447863
Log P
1.7035279
Molar Refractivity
66.0419
Polarizability
24.479053
Polar Surface Area
32.5
Rotatable Bonds
1
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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