Molecule

ID:91656

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H13NO.ClH/c1-15-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14;/h2-9H,14H2,1H3;1H
InChIKey
BTKKXPWYXJGJCY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccccc1N.Cl
Isomeric Smiles
Nc1c(cccc1)c1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.620363
LogD (pH = 7.4)
2.633701
Log P
2.633874
Molar Refractivity
62.3578
Polarizability
25.024967
Polar Surface Area
35.25
Rotatable Bonds
2
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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