Molecule

ID:16803

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H19ClN2O/c14-12-4-1-2-5-13(12)17-11-3-8-16-9-6-15-7-10-16/h1-2,4-5,15H,3,6-11H2
InChIKey
AYUJWZKRWAEEML-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1OCCCN1CCNCC1
Isomeric Smiles
c1(c(cccc1)Cl)OCCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2569638
LogD (pH = 7.4)
0.08580411
Log P
1.9622952
Molar Refractivity
70.9659
Polarizability
28.100912
Polar Surface Area
24.5
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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