Molecule

ID:124792

General Information
Structure
Molecular Formula
C₁₂H₁₇Cl₃N₂
Molecular Mass
295.63578
Exact Mass
294.04573159
Charge
0
InChI
InChI=1S/C12H16Cl2N2.ClH/c13-10-2-1-9(12(14)7-10)8-16-5-3-11(15)4-6-16;/h1-2,7,11H,3-6,8,15H2;1H
InChIKey
LFPLOUNCAFKLML-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccc(cc1Cl)Cl.Cl
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)CN1CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3491449
LogD (pH = 7.4)
-0.39012185
Log P
2.3339097
Molar Refractivity
69.5921
Polarizability
27.432547
Polar Surface Area
29.26
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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