Molecule

ID:67325

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKey
TXHLONYFVBSHDY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1ccc(c2)OCc1ccccc1
Isomeric Smiles
n1ccc(c2ccc(cc12)OCc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2945223
LogD (pH = 7.4)
4.3016553
Log P
4.301747
Molar Refractivity
75.8599
Polarizability
30.952105
Polar Surface Area
22.12
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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