Molecule

ID:37948

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClN
Molecular Mass
209.71514
Exact Mass
209.0971272
Charge
0
InChI
InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)12-4-2-1-3-9-14-12/h5-8,12,14H,1-4,9H2
InChIKey
QVSTXCOTKAOQEW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1CCCCCN1
Isomeric Smiles
N1C(c2ccc(cc2)Cl)CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.277715
LogD (pH = 7.4)
1.0642359
Log P
3.4903412
Molar Refractivity
60.524
Polarizability
24.038214
Polar Surface Area
12.03
Rotatable Bonds
1
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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