Molecule

ID:21502

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N
Molecular Mass
234.16538
Exact Mass
233.07380491
Charge
0
InChI
InChI=1S/C11H16ClN.ClH/c1-3-9(2)13-8-10-6-4-5-7-11(10)12;/h4-7,9,13H,3,8H2,1-2H3;1H
InChIKey
NRYYEXPSHPVLKU-UHFFFAOYSA-N
Canonic Smiles
CCC(NCc1ccccc1Cl)C.Cl
Isomeric Smiles
c1(CNC(CC)C)c(Cl)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.33081743
LogD (pH = 7.4)
1.6812118
Log P
3.4315448
Molar Refractivity
57.8022
Polarizability
22.933558
Polar Surface Area
12.03
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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