Molecule

ID:29171

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO
Molecular Mass
261.74664
Exact Mass
261.09204182
Charge
0
InChI
InChI=1S/C15H16ClNO/c1-12-11-14(7-8-15(12)16)18-10-9-17-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKey
LLZVQRAUQPDSHC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C)OCCNc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)OCCNc1ccccc1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1883416
LogD (pH = 7.4)
4.2072926
Log P
4.2075396
Molar Refractivity
76.65
Polarizability
29.043829
Polar Surface Area
21.26
Rotatable Bonds
5
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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