Molecule

ID:29259

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN
Molecular Mass
185.69374
Exact Mass
185.0971272
Charge
0
InChI
InChI=1S/C10H15N.ClH/c1-9-5-3-4-6-10(9)7-8-11-2;/h3-6,11H,7-8H2,1-2H3;1H
InChIKey
TVUXXZGXONVJGA-UHFFFAOYSA-N
Canonic Smiles
CNCCc1ccccc1C.Cl
Isomeric Smiles
c1(c(CCNC)cccc1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8910983
LogD (pH = 7.4)
-0.2838647
Log P
2.3336773
Molar Refractivity
49.1022
Polarizability
19.129328
Polar Surface Area
12.03
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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