Molecule

ID:125042

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₂N₃
Molecular Mass
304.25852
Exact Mass
303.12690311
Charge
0
InChI
InChI=1S/C14H21N3.2ClH/c1-11(2)10-17-13-7-4-3-6-12(13)16-14(17)8-5-9-15;;/h3-4,6-7,11H,5,8-10,15H2,1-2H3;2*1H
InChIKey
CMINQPIPHSLESG-UHFFFAOYSA-N
Canonic Smiles
NCCCc1nc2c(n1CC(C)C)cccc2.Cl.Cl
Isomeric Smiles
n1(c(nc2c1cccc2)CCCN)CC(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1408623
LogD (pH = 7.4)
-0.059610903
Log P
2.4520922
Molar Refractivity
70.8642
Polarizability
28.975573
Polar Surface Area
43.84
Rotatable Bonds
5
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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