Molecule

ID:66564

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN
Molecular Mass
199.72032
Exact Mass
199.11277726
Charge
0
InChI
InChI=1S/C11H17N.ClH/c1-3-11(12,4-2)10-8-6-5-7-9-10;/h5-9H,3-4,12H2,1-2H3;1H
InChIKey
RKYQFKGYZSIYTP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)(CC)N.Cl
Isomeric Smiles
NC(CC)(CC)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.17932825
LogD (pH = 7.4)
0.33043623
Log P
2.8412108
Molar Refractivity
52.6364
Polarizability
21.136889
Polar Surface Area
26.02
Rotatable Bonds
3
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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