Molecule

ID:73368

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO
Molecular Mass
243.6883
Exact Mass
243.04509163
Charge
0
InChI
InChI=1S/C14H10ClNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2
InChIKey
YZXBHIMDKJEWFS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)OCc1ccc(cc1)Cl
Isomeric Smiles
N#Cc1ccc(cc1)OCc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0001884
LogD (pH = 7.4)
4.0001884
Log P
4.0001884
Molar Refractivity
67.6602
Polarizability
26.12329
Polar Surface Area
33.02
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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