Molecule

ID:15566

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂Cl₃N₃
Molecular Mass
314.68218
Exact Mass
313.08793076
Charge
0
InChI
InChI=1S/C12H19N3.3ClH/c13-14-12-6-8-15(9-7-12)10-11-4-2-1-3-5-11;;;/h1-5,12,14H,6-10,13H2;3*1H
InChIKey
VZMLRASHOJBKCW-UHFFFAOYSA-N
Canonic Smiles
NNC1CCN(CC1)Cc1ccccc1.Cl.Cl.Cl
Isomeric Smiles
C1(NN)CCN(CC1)Cc1ccccc1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5315747
LogD (pH = 7.4)
-1.0021678
Log P
0.941165
Molar Refractivity
74.9594
Polarizability
25.06198
Polar Surface Area
41.29
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
No Data Available
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Molecule Details
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References
Bioactivity
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