Molecule

ID:11280

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆ClN
Molecular Mass
233.73654
Exact Mass
233.0971272
Charge
0
InChI
InChI=1S/C14H15N.ClH/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKey
XPKPOJYKFNMGBD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNc1ccccc1.Cl
Isomeric Smiles
N(c1ccccc1)CCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3690088
LogD (pH = 7.4)
3.457898
Log P
3.4591582
Molar Refractivity
65.6194
Polarizability
24.75436
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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