Molecule

ID:15908

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅Cl₂N
Molecular Mass
268.1816
Exact Mass
267.05815485
Charge
0
InChI
InChI=1S/C14H14ClN.ClH/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16;/h1-4,6-7,9-10H,5,8,16H2;1H
InChIKey
UUJYPMRKNVTQAD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CCc1ccccc1N.Cl
Isomeric Smiles
c1ccc(c(c1)CCc1ccc(cc1)Cl)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.271828
LogD (pH = 7.4)
4.2845626
Log P
4.284727
Molar Refractivity
69.9014
Polarizability
26.463142
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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