Molecule

ID:62016

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H19ClN2O/c1-11-2-3-12(14)13(10-11)17-9-8-16-6-4-15-5-7-16/h2-3,10,15H,4-9H2,1H3
InChIKey
FUUGZHROTCNZLM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1OCCN1CCNCC1)C
Isomeric Smiles
c1(c(ccc(c1)C)Cl)OCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7078491
LogD (pH = 7.4)
0.6065802
Log P
2.4157567
Molar Refractivity
71.1417
Polarizability
28.020573
Polar Surface Area
24.5
Rotatable Bonds
4
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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