Molecule

ID:106945

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)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H
InChIKey
QEUMNQFVAMSSNS-UHFFFAOYSA-N
Canonic Smiles
[NH2+](Cc1ccccc1)Cc1ccccc1.[Cl-]
Isomeric Smiles
[Cl-].C([NH2+]Cc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.1655053
LogD (pH = 7.4)
1.5395616
Log P
3.2560678
Molar Refractivity
75.3335
Polarizability
25.14559
Polar Surface Area
16.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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